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1019127-04-8 | 4-Pyridinecarboxylic acid, 2-(propylamino)-
CAS No: 1019127-04-8 Catalog No: AG0005XK MDL No:MFCD11131957
Product Description
Catalog Number:
AG0005XK
Chemical Name:
4-Pyridinecarboxylic acid, 2-(propylamino)-
CAS Number:
1019127-04-8
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD11131957
IUPAC Name:
2-(propylamino)pyridine-4-carboxylic acid
InChI:
InChI=1S/C9H12N2O2/c1-2-4-10-8-6-7(9(12)13)3-5-11-8/h3,5-6H,2,4H2,1H3,(H,10,11)(H,12,13)
InChI Key:
PZWGBONJHOBLRM-UHFFFAOYSA-N
SMILES:
CCCNc1cc(ccn1)C(=O)O
Properties
Complexity:
173
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:
4
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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