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131236-11-8 | Benzoic acid, 3,5-diethenyl-, methyl ester
CAS No: 131236-11-8 Catalog No: AG000VSD MDL No:
Product Description
Catalog Number:
AG000VSD
Chemical Name:
Benzoic acid, 3,5-diethenyl-, methyl ester
CAS Number:
131236-11-8
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
IUPAC Name:
methyl 3,5-bis(ethenyl)benzoate
InChI:
InChI=1S/C12H12O2/c1-4-9-6-10(5-2)8-11(7-9)12(13)14-3/h4-8H,1-2H2,3H3
InChI Key:
PPBMJYBZNJTMOS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C=C)cc(c1)C=C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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