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88647-12-5 | 2-Furanoctanoic acid, 5-hexyl-4-methyl-, methyl ester
CAS No: 88647-12-5 Catalog No: AG00491T MDL No:
Product Description
Catalog Number:
AG00491T
Chemical Name:
2-Furanoctanoic acid, 5-hexyl-4-methyl-, methyl ester
CAS Number:
88647-12-5
Molecular Formula:
C20H34O3
Molecular Weight:
322.4822
IUPAC Name:
methyl 8-(5-hexyl-4-methylfuran-2-yl)octanoate
InChI:
InChI=1S/C20H34O3/c1-4-5-6-11-14-19-17(2)16-18(23-19)13-10-8-7-9-12-15-20(21)22-3/h16H,4-15H2,1-3H3
InChI Key:
XOZICXVROSSFAC-UHFFFAOYSA-N
SMILES:
CCCCCCc1oc(cc1C)CCCCCCCC(=O)OC
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.251g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.489g/mol
Monoisotopic Mass:
322.251g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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