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824431-37-0 | Octanoic acid, 2-(4-pentenyl)-
CAS No: 824431-37-0 Catalog No: AG0050QM MDL No:
Product Description
Catalog Number:
AG0050QM
Chemical Name:
Octanoic acid, 2-(4-pentenyl)-
CAS Number:
824431-37-0
Molecular Formula:
C13H24O2
Molecular Weight:
212.3285
IUPAC Name:
2-pent-4-enyloctanoic acid
InChI:
InChI=1S/C13H24O2/c1-3-5-7-9-11-12(13(14)15)10-8-6-4-2/h4,12H,2-3,5-11H2,1H3,(H,14,15)
InChI Key:
IEFRUBGSQWXGKS-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(=O)O)CCCC=C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.178g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.333g/mol
Monoisotopic Mass:
212.178g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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