637563
  DSViewer          3D                             0

 23 23  0  0  0  0  0  0  0  0999 V2000
    2.8651   -3.6406    0.0005 O   0  0  0  0  0  0  0  0  0  1
    2.8627    0.5675    0.0001 C   0  0  0  0  0  0  0  0  0  2
    1.7066   -0.0927    0.0001 C   0  0  0  0  0  0  0  0  0  3
    4.1277   -0.1711    0.0002 C   0  0  0  0  0  0  0  0  0  4
    2.8512   -2.2337    0.0003 C   0  0  0  0  0  0  0  0  0  5
    1.7000   -1.5575    0.0002 C   0  0  0  0  0  0  0  0  0  6
    4.1219   -1.5028    0.0003 C   0  0  0  0  0  0  0  0  0  7
    2.8678    2.0293    0.0000 C   0  0  0  0  0  0  0  0  0  8
    4.0222    2.6920    0.0001 C   0  0  0  0  0  0  0  0  0  9
    4.0250    4.1926   -0.0000 C   0  0  0  0  0  0  0  0  0 10
    1.5341   -4.1813    0.0004 C   0  0  0  0  0  0  0  0  0 11
    0.7652    0.4566    0.0000 H   0  0  0  0  0  0  0  0  0 12
    5.0742    0.3696    0.0003 H   0  0  0  0  0  0  0  0  0 13
    0.7528   -2.0968    0.0002 H   0  0  0  0  0  0  0  0  0 14
    5.0642   -2.0507    0.0004 H   0  0  0  0  0  0  0  0  0 15
    1.9255    2.5772   -0.0001 H   0  0  0  0  0  0  0  0  0 16
    4.9650    2.1450    0.0002 H   0  0  0  0  0  0  0  0  0 17
    5.0531    4.5545    0.0000 H   0  0  0  0  0  0  0  0  0 18
    3.5119    4.5574    0.8898 H   0  0  0  0  0  0  0  0  0 19
    3.5120    4.5573   -0.8900 H   0  0  0  0  0  0  0  0  0 20
    1.5837   -5.2701    0.0005 H   0  0  0  0  0  0  0  0  0 21
    1.0037   -3.8423   -0.8895 H   0  0  0  0  0  0  0  0  0 22
    1.0036   -3.8422    0.8903 H   0  0  0  0  0  0  0  0  0 23
  1  5  1  0  0  0
  1 11  1  0  0  0
  2  3  2  0  0  0
  2  4  1  0  0  0
  2  8  1  0  0  0
  3  6  1  0  0  0
  3 12  1  0  0  0
  4  7  2  0  0  0
  4 13  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 14  1  0  0  0
  7 15  1  0  0  0
  8  9  2  0  0  0
  8 16  1  0  0  0
  9 10  1  0  0  0
  9 17  1  0  0  0
 10 18  1  0  0  0
 10 19  1  0  0  0
 10 20  1  0  0  0
 11 21  1  0  0  0
 11 22  1  0  0  0
 11 23  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
637563

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
121

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAADASAmAIyBoAABACAAiBCAAACCAAgIAAIiAAGCIgMJiKEMRqAMCAkwBEIqAeAwAAOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-methoxy-4-[(E)-prop-1-enyl]benzene

> <PUBCHEM_IUPAC_CAS_NAME>
1-methoxy-4-[(E)-prop-1-enyl]benzene

> <PUBCHEM_IUPAC_NAME>
1-methoxy-4-[(E)-prop-1-enyl]benzene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-methoxy-4-[(E)-prop-1-enyl]benzene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-methoxy-4-[(E)-prop-1-enyl]benzene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+

> <PUBCHEM_IUPAC_INCHIKEY>
RUVINXPYWBROJD-ONEGZZNKSA-N

> <PUBCHEM_XLOGP3>
3.3

> <PUBCHEM_EXACT_MASS>
148.089

> <PUBCHEM_MOLECULAR_FORMULA>
C10H12O

> <PUBCHEM_MOLECULAR_WEIGHT>
148.202

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC=CC1=CC=C(C=C1)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C=C/C1=CC=C(C=C1)OC

> <PUBCHEM_CACTVS_TPSA>
9.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
148.089

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
2  3  8
2  4  8
3  6  8
4  7  8
5  6  8
5  7  8

$$$$
