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29714-30-5 | 2-Furanoctanoic acid, 5-hexyltetrahydro-, methyl ester, trans- (8CI,9CI)
CAS No: 29714-30-5 Catalog No: AG002Z6O MDL No:
Product Description
Catalog Number:
AG002Z6O
Chemical Name:
2-Furanoctanoic acid, 5-hexyltetrahydro-, methyl ester, trans- (8CI,9CI)
CAS Number:
29714-30-5
Molecular Formula:
C19H36O3
Molecular Weight:
312.4873
IUPAC Name:
methyl 8-[(2S,5S)-5-hexyloxolan-2-yl]octanoate
InChI:
InChI=1S/C19H36O3/c1-3-4-5-9-12-17-15-16-18(22-17)13-10-7-6-8-11-14-19(20)21-2/h17-18H,3-16H2,1-2H3/t17-,18-/m0/s1
InChI Key:
ZHFZJFDHCJYZAM-ROUUACIJSA-N
SMILES:
CCCCCC[C@H]1CC[C@@H](O1)CCCCCCCC(=O)OC
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
312.266g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.494g/mol
Monoisotopic Mass:
312.266g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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