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84709-12-6 | Benzeneacetic acid,4-hydroxy-a-[(phenylacetyl)amino]-,monosodium salt, (S)- (9CI)
CAS No: 84709-12-6 Catalog No: AG004SN6 MDL No:
Product Description
Catalog Number:
AG004SN6
Chemical Name:
Benzeneacetic acid,4-hydroxy-a-[(phenylacetyl)amino]-,monosodium salt, (S)- (9CI)
CAS Number:
84709-12-6
Molecular Formula:
C16H14NNaO4
Molecular Weight:
307.2764
IUPAC Name:
sodium;(2S)-2-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]acetate
InChI:
InChI=1S/C16H15NO4.Na/c18-13-8-6-12(7-9-13)15(16(20)21)17-14(19)10-11-4-2-1-3-5-11;/h1-9,15,18H,10H2,(H,17,19)(H,20,21);/q;+1/p-1/t15-;/m0./s1
InChI Key:
SSQICCSBOZHERJ-RSAXXLAASA-M
SMILES:
O=C(N[C@@H](c1ccc(cc1)O)C(=O)[O-])Cc1ccccc1.[Na+]
EC Number:
283-733-0
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
307.082g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.281g/mol
Monoisotopic Mass:
307.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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