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1019461-29-0 | 2-(Allylamino)isonicotinic acid
CAS No: 1019461-29-0 Catalog No: AG01FOFG MDL No:
Product Description
Catalog Number:
AG01FOFG
Chemical Name:
2-(Allylamino)isonicotinic acid
CAS Number:
1019461-29-0
IUPAC Name:
2-(prop-2-enylamino)pyridine-4-carboxylic acid
InChI:
InChI=1S/C9H10N2O2/c1-2-4-10-8-6-7(9(12)13)3-5-11-8/h2-3,5-6H,1,4H2,(H,10,11)(H,12,13)
InChI Key:
QDUOZGHUJOVULV-UHFFFAOYSA-N
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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