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88940-65-2 | 5-Hexenoic acid, 6-(3-pyridinyl)-, (E)-
CAS No: 88940-65-2 Catalog No: AG0047YY MDL No:
Product Description
Catalog Number:
AG0047YY
Chemical Name:
5-Hexenoic acid, 6-(3-pyridinyl)-, (E)-
CAS Number:
88940-65-2
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
6-pyridin-3-ylhex-5-enoic acid
InChI:
InChI=1S/C11H13NO2/c13-11(14)7-3-1-2-5-10-6-4-8-12-9-10/h2,4-6,8-9H,1,3,7H2,(H,13,14)
InChI Key:
PKPVYSCWRSBCIB-UHFFFAOYSA-N
SMILES:
OC(=O)CCC/C=C/c1cccnc1
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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