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114-21-6 | Benzeneacetic acid, α-hydroxy-, sodium salt (1:1)
CAS No: 114-21-6 Catalog No: AG000A9J MDL No:MFCD00051122
Product Description
Catalog Number:
AG000A9J
Chemical Name:
Benzeneacetic acid, α-hydroxy-, sodium salt (1:1)
CAS Number:
114-21-6
Molecular Formula:
C8H7NaO3
Molecular Weight:
174.1292
MDL Number:
MFCD00051122
IUPAC Name:
sodium;2-hydroxy-2-phenylacetate
InChI:
InChI=1S/C8H8O3.Na/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7,9H,(H,10,11);/q;+1/p-1
InChI Key:
FWDLHTBMGQEUDU-UHFFFAOYSA-M
SMILES:
OC(c1ccccc1)C(=O)[O-].[Na+]
EC Number:
204-041-7
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.131g/mol
Monoisotopic Mass:
174.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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