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10152-61-1 | Cyclopropaneoctanoic acid, 2-hexyl-, methyl ester
CAS No: 10152-61-1 Catalog No: AG0004PX MDL No:
Product Description
Catalog Number:
AG0004PX
Chemical Name:
Cyclopropaneoctanoic acid, 2-hexyl-, methyl ester
CAS Number:
10152-61-1
Molecular Formula:
C18H34O2
Molecular Weight:
282.4614
IUPAC Name:
methyl 8-(2-hexylcyclopropyl)octanoate
InChI:
InChI=1S/C18H34O2/c1-3-4-5-9-12-16-15-17(16)13-10-7-6-8-11-14-18(19)20-2/h16-17H,3-15H2,1-2H3
InChI Key:
LQYIDOFTTFCXEO-UHFFFAOYSA-N
SMILES:
CCCCCCC1CC1CCCCCCCC(=O)OC
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.256g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.468g/mol
Monoisotopic Mass:
282.256g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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