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39585-32-5 | 2-(Carboxymethyl)-4-nitrobenzoic acid
CAS No: 39585-32-5 Catalog No: AG003F06 MDL No:MFCD07782180
Product Description
Catalog Number:
AG003F06
Chemical Name:
2-(Carboxymethyl)-4-nitrobenzoic acid
CAS Number:
39585-32-5
Molecular Formula:
C9H7NO6
Molecular Weight:
225.1550
MDL Number:
MFCD07782180
IUPAC Name:
2-(carboxymethyl)-4-nitrobenzoic acid
InChI:
InChI=1S/C9H7NO6/c11-8(12)4-5-3-6(10(15)16)1-2-7(5)9(13)14/h1-3H,4H2,(H,11,12)(H,13,14)
InChI Key:
CKXXWBQEZGLFMV-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(ccc1C(=O)O)[N+](=O)[O-]
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.027g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.156g/mol
Monoisotopic Mass:
225.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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