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885275-12-7 | 2-(Isopropylamino)nicotinic acid
CAS No: 885275-12-7 Catalog No: AG0089G8 MDL No:MFCD04115113
Product Description
Catalog Number:
AG0089G8
Chemical Name:
2-(Isopropylamino)nicotinic acid
CAS Number:
885275-12-7
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD04115113
IUPAC Name:
2-(propan-2-ylamino)pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H12N2O2/c1-6(2)11-8-7(9(12)13)4-3-5-10-8/h3-6H,1-2H3,(H,10,11)(H,12,13)
InChI Key:
JCVLLXCQDAXHGN-UHFFFAOYSA-N
SMILES:
CC(Nc1ncccc1C(=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:
2
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