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88423-11-4 | 3-Pyridinecarboxylic acid, 2-isocyanato-
CAS No: 88423-11-4 Catalog No: AG004KG4 MDL No:
Product Description
Catalog Number:
AG004KG4
Chemical Name:
3-Pyridinecarboxylic acid, 2-isocyanato-
CAS Number:
88423-11-4
Molecular Formula:
C7H4N2O3
Molecular Weight:
164.1183
IUPAC Name:
2-isocyanatopyridine-3-carboxylic acid
InChI:
InChI=1S/C7H4N2O3/c10-4-9-6-5(7(11)12)2-1-3-8-6/h1-3H,(H,11,12)
InChI Key:
SAFISZIKFCGMQX-UHFFFAOYSA-N
SMILES:
O=C=Nc1ncccc1C(=O)O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.12g/mol
Monoisotopic Mass:
164.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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