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77314-51-3 | 2-(Isopropylamino);isonicotinic acid
CAS No: 77314-51-3 Catalog No: AG00547J MDL No:MFCD11131982
Product Description
Catalog Number:
AG00547J
Chemical Name:
2-(Isopropylamino);isonicotinic acid
CAS Number:
77314-51-3
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD11131982
IUPAC Name:
2-(propan-2-ylamino)pyridine-4-carboxylic acid
InChI:
InChI=1S/C9H12N2O2/c1-6(2)11-8-5-7(9(12)13)3-4-10-8/h3-6H,1-2H3,(H,10,11)(H,12,13)
InChI Key:
RDXOHTUCDYEDPE-UHFFFAOYSA-N
SMILES:
CC(Nc1nccc(c1)C(=O)O)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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