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3562-11-6 | Nornicotine-2-Carboxylic Acid
CAS No: 3562-11-6 Catalog No: AG0039B2 MDL No:MFCD18072995
Product Description
Catalog Number:
AG0039B2
Chemical Name:
Nornicotine-2-Carboxylic Acid
CAS Number:
3562-11-6
Molecular Formula:
C10H12N2O2
Molecular Weight:
192.2145
MDL Number:
MFCD18072995
IUPAC Name:
5-pyridin-3-ylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C10H12N2O2/c13-10(14)9-4-3-8(12-9)7-2-1-5-11-6-7/h1-2,5-6,8-9,12H,3-4H2,(H,13,14)
InChI Key:
XNFSAICMYCRAOX-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC(N1)c1cccnc1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.218g/mol
Monoisotopic Mass:
192.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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