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5251-93-4 | 2-(Benzamidooxy);acetic acid
CAS No: 5251-93-4 Catalog No: AG003BZG MDL No:
Product Description
Catalog Number:
AG003BZG
Chemical Name:
2-(Benzamidooxy);acetic acid
CAS Number:
5251-93-4
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
IUPAC Name:
2-benzamidooxyacetic acid
InChI:
InChI=1S/C9H9NO4/c11-8(12)6-14-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
InChI Key:
WDRGQGLIUAMOOC-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NOCC(=O)O
EC Number:
226-053-1
UNII:
KSR5R1E31I
NSC Number:
75601
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Substituted hippurates and hippurate analogs as substrates and inhibitors of peptidylglycine alpha-hydroxylating monooxygenase (PHM). | Bioorganic & medicinal chemistry 20081201 |
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