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120004-88-8 | 3-Pyridinecarboxylic acid, 3-aminopropyl ester
CAS No: 120004-88-8 Catalog No: AG000Q2X MDL No:
Product Description
Catalog Number:
AG000Q2X
Chemical Name:
3-Pyridinecarboxylic acid, 3-aminopropyl ester
CAS Number:
120004-88-8
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
IUPAC Name:
3-aminopropyl pyridine-3-carboxylate
InChI:
InChI=1S/C9H12N2O2/c10-4-2-6-13-9(12)8-3-1-5-11-7-8/h1,3,5,7H,2,4,6,10H2
InChI Key:
LIUWCNMNUTUEHB-UHFFFAOYSA-N
SMILES:
NCCCOC(=O)c1cccnc1
Properties
Complexity:
162
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:
1
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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