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1261931-45-6 | [1,1'-Biphenyl]-3,4'-dicarboxylic acid, 5-nitro-
CAS No: 1261931-45-6 Catalog No: AG000S6B MDL No:MFCD18320292
Product Description
Catalog Number:
AG000S6B
Chemical Name:
[1,1'-Biphenyl]-3,4'-dicarboxylic acid, 5-nitro-
CAS Number:
1261931-45-6
Molecular Formula:
C14H9NO6
Molecular Weight:
287.2244
MDL Number:
MFCD18320292
IUPAC Name:
3-(4-carboxyphenyl)-5-nitrobenzoic acid
InChI:
InChI=1S/C14H9NO6/c16-13(17)9-3-1-8(2-4-9)10-5-11(14(18)19)7-12(6-10)15(20)21/h1-7H,(H,16,17)(H,18,19)
InChI Key:
IMMMKRJSBMQYKG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1)c1ccc(cc1)C(=O)O)C(=O)O
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.043g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.227g/mol
Monoisotopic Mass:
287.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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