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Home > Nitro Compounds > 2645-07-0
2645-07-0 | Glycine, N-(4-nitrobenzoyl)-
CAS No: 2645-07-0 Catalog No: AG002T9U MDL No:MFCD00007349
Product Description
Catalog Number:
AG002T9U
Chemical Name:
Glycine, N-(4-nitrobenzoyl)-
CAS Number:
2645-07-0
Molecular Formula:
C9H8N2O5
Molecular Weight:
224.1702
MDL Number:
MFCD00007349
IUPAC Name:
2-[(4-nitrobenzoyl)amino]acetic acid
InChI:
InChI=1S/C9H8N2O5/c12-8(13)5-10-9(14)6-1-3-7(4-2-6)11(15)16/h1-4H,5H2,(H,10,14)(H,12,13)
InChI Key:
XCMUCRMMVDSVEL-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-]
EC Number:
220-156-5
UNII:
9HIU46T98M
NSC Number:
33334
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.172g/mol
Monoisotopic Mass:
224.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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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