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138528-62-8 | Benzoic acid, 2-(2-methoxyethenyl)-
CAS No: 138528-62-8 Catalog No: AG0019D6 MDL No:
Product Description
Catalog Number:
AG0019D6
Chemical Name:
Benzoic acid, 2-(2-methoxyethenyl)-
CAS Number:
138528-62-8
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
IUPAC Name:
2-(2-methoxyethenyl)benzoic acid
InChI:
InChI=1S/C10H10O3/c1-13-7-6-8-4-2-3-5-9(8)10(11)12/h2-7H,1H3,(H,11,12)
InChI Key:
TTWTYFQKYMOCND-UHFFFAOYSA-N
SMILES:
COC=Cc1ccccc1C(=O)O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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