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1279208-48-8 | 2-(Methylcarbamoyl)isonicotinic acid
CAS No: 1279208-48-8 Catalog No: AG01FLZ0 MDL No:MFCD18785155
Product Description
Catalog Number:
AG01FLZ0
Chemical Name:
2-(Methylcarbamoyl)isonicotinic acid
CAS Number:
1279208-48-8
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
MDL Number:
MFCD18785155
IUPAC Name:
2-(methylcarbamoyl)pyridine-4-carboxylic acid
InChI:
InChI=1S/C8H8N2O3/c1-9-7(11)6-4-5(8(12)13)2-3-10-6/h2-4H,1H3,(H,9,11)(H,12,13)
InChI Key:
PVIZBGMQZAJNIH-UHFFFAOYSA-N
SMILES:
CNC(=O)c1cc(ccn1)C(=O)O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.163g/mol
Monoisotopic Mass:
180.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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