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14464-10-9 | Propanoic acid, 3-hydroxy-, phenylmethyl ester
CAS No: 14464-10-9 Catalog No: AG001JWJ MDL No:MFCD00029657
Product Description
Catalog Number:
AG001JWJ
Chemical Name:
Propanoic acid, 3-hydroxy-, phenylmethyl ester
CAS Number:
14464-10-9
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD00029657
IUPAC Name:
benzyl 3-hydroxypropanoate
InChI:
InChI=1S/C10H12O3/c11-7-6-10(12)13-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChI Key:
RDRDBYYUPACJJT-UHFFFAOYSA-N
SMILES:
OCCC(=O)OCc1ccccc1
EC Number:
238-453-3
Properties
Complexity:
150
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:
1
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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