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13509-19-8 | 4-Nitropicolinic acid
CAS No: 13509-19-8 Catalog No: AG003LWK MDL No:MFCD00191562
Product Description
Catalog Number:
AG003LWK
Chemical Name:
4-Nitropicolinic acid
CAS Number:
13509-19-8
Molecular Formula:
C6H4N2O4
Molecular Weight:
168.1070
MDL Number:
MFCD00191562
IUPAC Name:
4-nitropyridine-2-carboxylic acid
InChI:
InChI=1S/C6H4N2O4/c9-6(10)5-3-4(8(11)12)1-2-7-5/h1-3H,(H,9,10)
InChI Key:
USTVSOYPMQZLSA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccnc(c1)C(=O)O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.108g/mol
Monoisotopic Mass:
168.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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