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10265-75-5 | Benzeneacetic acid, α-(hydroxymethyl)-, sodium salt (1:1)
CAS No: 10265-75-5 Catalog No: AG00081N MDL No:
Product Description
Catalog Number:
AG00081N
Chemical Name:
Benzeneacetic acid, α-(hydroxymethyl)-, sodium salt (1:1)
CAS Number:
10265-75-5
Molecular Formula:
C9H9NaO3
Molecular Weight:
188.1557
IUPAC Name:
sodium;3-hydroxy-2-phenylpropanoate
InChI:
InChI=1S/C9H10O3.Na/c10-6-8(9(11)12)7-4-2-1-3-5-7;/h1-5,8,10H,6H2,(H,11,12);/q;+1/p-1
InChI Key:
MWFAUNFZNKFJAM-UHFFFAOYSA-M
SMILES:
OCC(c1ccccc1)C(=O)[O-].[Na+]
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.158g/mol
Monoisotopic Mass:
188.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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