520440
  DSViewer          3D                             0

 27 27  0  0  0  0  0  0  0  0999 V2000
    4.4392    4.1314    0.1886 O   0  0  0  0  0  0  0  0  0  1
    3.0542    0.7561    0.1630 C   0  0  3  0  0  0  0  0  0  2
    1.7670    0.0825   -0.2844 C   0  0  0  0  0  0  0  0  0  3
    4.2205    0.0996   -0.5932 C   0  0  0  0  0  0  0  0  0  4
    3.0272    2.2588   -0.1697 C   0  0  3  0  0  0  0  0  0  5
    1.7930   -1.3883    0.1942 C   0  0  0  0  0  0  0  0  0  6
    3.1294   -2.0716   -0.0459 C   0  0  0  0  0  0  0  0  0  7
    4.2247   -1.3917   -0.4002 C   0  0  0  0  0  0  0  0  0  8
    1.8540    2.9542    0.5470 C   0  0  0  0  0  0  0  0  0  9
    4.3118    2.9043    0.2597 C   0  0  0  0  0  0  0  0  0 10
    3.2293   -3.5565    0.1475 C   0  0  0  0  0  0  0  0  0 11
    3.1736    0.6226    1.2477 H   0  0  0  0  0  0  0  0  0 12
    0.9114    0.5967    0.1533 H   0  0  0  0  0  0  0  0  0 13
    1.6937    0.1144   -1.3714 H   0  0  0  0  0  0  0  0  0 14
    4.1233    0.3199   -1.6563 H   0  0  0  0  0  0  0  0  0 15
    5.1599    0.5086   -0.2213 H   0  0  0  0  0  0  0  0  0 16
    2.9006    2.3993   -1.2525 H   0  0  0  0  0  0  0  0  0 17
    1.5806   -1.4086    1.2632 H   0  0  0  0  0  0  0  0  0 18
    1.0204   -1.9405   -0.3408 H   0  0  0  0  0  0  0  0  0 19
    5.1549   -1.9384   -0.5548 H   0  0  0  0  0  0  0  0  0 20
    1.8533    4.0154    0.2983 H   0  0  0  0  0  0  0  0  0 21
    1.9637    2.8343    1.6249 H   0  0  0  0  0  0  0  0  0 22
    0.9140    2.5056    0.2257 H   0  0  0  0  0  0  0  0  0 23
    5.1318    2.2914    0.6339 H   0  0  0  0  0  0  0  0  0 24
    4.2473   -3.8833   -0.0641 H   0  0  0  0  0  0  0  0  0 25
    2.5388   -4.0589   -0.5301 H   0  0  0  0  0  0  0  0  0 26
    2.9743   -3.8073    1.1771 H   0  0  0  0  0  0  0  0  0 27
  1 10  2  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  5  1  0  0  0
  2 12  1  0  0  0
  3  6  1  0  0  0
  3 13  1  0  0  0
  3 14  1  0  0  0
  4  8  1  0  0  0
  4 15  1  0  0  0
  4 16  1  0  0  0
  5  9  1  0  0  0
  5 10  1  0  0  0
  5 17  1  0  0  0
  6  7  1  0  0  0
  6 18  1  0  0  0
  6 19  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8 20  1  0  0  0
  9 21  1  0  0  0
  9 22  1  0  0  0
  9 23  1  0  0  0
 10 24  1  0  0  0
 11 25  1  0  0  0
 11 26  1  0  0  0
 11 27  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
520440

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
170

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAAAAAADQCggAICAAAAAACIAihSgAAAAAAgAAAACAEAAAgAABIAAQAAAAAAgAAIAAMIiECOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4-methylcyclohex-3-en-1-yl)propanal

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-methyl-1-cyclohex-3-enyl)propanal

> <PUBCHEM_IUPAC_NAME>
2-(4-methylcyclohex-3-en-1-yl)propanal

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4-methylcyclohex-3-en-1-yl)propanal

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(4-methylcyclohex-3-en-1-yl)propionaldehyde

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
UMEJBWOWZDRULR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
152.12

> <PUBCHEM_MOLECULAR_FORMULA>
C10H16O

> <PUBCHEM_MOLECULAR_WEIGHT>
152.233

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCC(CC1)C(C)C=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CCC(CC1)C(C)C=O

> <PUBCHEM_CACTVS_TPSA>
17.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
152.12

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
2  12  3
5  17  3

$$$$
