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89272-50-4 | 8-Decenoic acid, 5,9-dimethyl-4-(3-methyl-1,3-butadienyl)-, ethyl ester
CAS No: 89272-50-4 Catalog No: AG004178 MDL No:
Product Description
Catalog Number:
AG004178
Chemical Name:
8-Decenoic acid, 5,9-dimethyl-4-(3-methyl-1,3-butadienyl)-, ethyl ester
CAS Number:
89272-50-4
Molecular Formula:
C19H32O2
Molecular Weight:
292.4562
IUPAC Name:
ethyl 5,9-dimethyl-4-(3-methylbuta-1,3-dienyl)dec-8-enoate
InChI:
InChI=1S/C19H32O2/c1-7-21-19(20)14-13-18(12-11-16(4)5)17(6)10-8-9-15(2)3/h9,11-12,17-18H,4,7-8,10,13-14H2,1-3,5-6H3
InChI Key:
XPUVIZSYRLQLLK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(C(CCC=C(C)C)C)C=CC(=C)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.24g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.463g/mol
Monoisotopic Mass:
292.24g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
6.2
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