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81598-12-1 | Benzeneacetic acid, 2-ethenyl-
CAS No: 81598-12-1 Catalog No: AG0051LV MDL No:
Product Description
Catalog Number:
AG0051LV
Chemical Name:
Benzeneacetic acid, 2-ethenyl-
CAS Number:
81598-12-1
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
IUPAC Name:
2-(2-ethenylphenyl)acetic acid
InChI:
InChI=1S/C10H10O2/c1-2-8-5-3-4-6-9(8)7-10(11)12/h2-6H,1,7H2,(H,11,12)
InChI Key:
MMIOSYPJSGTWEM-UHFFFAOYSA-N
SMILES:
C=Cc1ccccc1CC(=O)O
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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