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136863-22-4 | Benzeneacetic acid, 2-(2-hydroxyethyl)-
CAS No: 136863-22-4 Catalog No: AG0012IG MDL No:
Product Description
Catalog Number:
AG0012IG
Chemical Name:
Benzeneacetic acid, 2-(2-hydroxyethyl)-
CAS Number:
136863-22-4
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
2-[2-(2-hydroxyethyl)phenyl]acetic acid
InChI:
InChI=1S/C10H12O3/c11-6-5-8-3-1-2-4-9(8)7-10(12)13/h1-4,11H,5-7H2,(H,12,13)
InChI Key:
VZWXEAZIMWMEBY-UHFFFAOYSA-N
SMILES:
OCCc1ccccc1CC(=O)O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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