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4733-65-7 | 3-Carbamoylpicolinic acid
CAS No: 4733-65-7 Catalog No: AG003J5T MDL No:MFCD00661289
Product Description
Catalog Number:
AG003J5T
Chemical Name:
3-Carbamoylpicolinic acid
CAS Number:
4733-65-7
Molecular Formula:
C7H6N2O3
Molecular Weight:
166.1341
MDL Number:
MFCD00661289
IUPAC Name:
3-carbamoylpyridine-2-carboxylic acid
InChI:
InChI=1S/C7H6N2O3/c8-6(10)4-2-1-3-9-5(4)7(11)12/h1-3H,(H2,8,10)(H,11,12)
InChI Key:
CGDAWEVRGAIHJH-UHFFFAOYSA-N
SMILES:
NC(=O)c1cccnc1C(=O)O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.136g/mol
Monoisotopic Mass:
166.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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