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Home > Nitro Compounds > 85646-44-2
85646-44-2 | N-(4-NITROBENZOYL)-D-GLUTAMIC ACID
CAS No: 85646-44-2 Catalog No: AG004TN0 MDL No:
Product Description
Catalog Number:
AG004TN0
Chemical Name:
N-(4-NITROBENZOYL)-D-GLUTAMIC ACID
CAS Number:
85646-44-2
Molecular Formula:
C12H12N2O7
Molecular Weight:
296.2329
IUPAC Name:
(2R)-2-[(4-nitrobenzoyl)amino]pentanedioic acid
InChI:
InChI=1S/C12H12N2O7/c15-10(16)6-5-9(12(18)19)13-11(17)7-1-3-8(4-2-7)14(20)21/h1-4,9H,5-6H2,(H,13,17)(H,15,16)(H,18,19)/t9-/m1/s1
InChI Key:
NOJZBJAFCSWMKC-SECBINFHSA-N
SMILES:
OC(=O)CC[C@H](C(=O)O)NC(=O)c1ccc(cc1)[N+](=O)[O-]
EC Number:
288-049-6
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
296.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
296.235g/mol
Monoisotopic Mass:
296.064g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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