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88940-67-4 | 3-Pyridinehexanoic acid
CAS No: 88940-67-4 Catalog No: AG0047ZK MDL No:
Product Description
Catalog Number:
AG0047ZK
Chemical Name:
3-Pyridinehexanoic acid
CAS Number:
88940-67-4
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
IUPAC Name:
6-pyridin-3-ylhexanoic acid
InChI:
InChI=1S/C11H15NO2/c13-11(14)7-3-1-2-5-10-6-4-8-12-9-10/h4,6,8-9H,1-3,5,7H2,(H,13,14)
InChI Key:
CGOPUHYJTQSAKZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCc1cccnc1
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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