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778-65-4 | 2-cyclopentene-1-octanoic acid, 4-oxo-5-(2-penten-1-yl)-
CAS No: 778-65-4 Catalog No: AG0056WV MDL No:
Product Description
Catalog Number:
AG0056WV
Chemical Name:
2-cyclopentene-1-octanoic acid, 4-oxo-5-(2-penten-1-yl)-
CAS Number:
778-65-4
Molecular Formula:
C18H28O3
Molecular Weight:
292.4131
IUPAC Name:
3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
InChI:
InChI=1S/C12H9N3/c1-2-6-10(7-3-1)12-14-13-11-8-4-5-9-15(11)12/h1-9H
InChI Key:
BKMNRMWBERCAFW-UHFFFAOYSA-N
SMILES:
CCC=CCC1C(CCCCCCCC(=O)O)C=CC1=O
NSC Number:
68461
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.225g/mol
Monoisotopic Mass:
195.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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