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89630-97-7 | 2-Decenoic acid, 5-(acetyloxy)-4,4-dimethoxy-, methyl ester, (Z)-
CAS No: 89630-97-7 Catalog No: AG003WZJ MDL No:
Product Description
Catalog Number:
AG003WZJ
Chemical Name:
2-Decenoic acid, 5-(acetyloxy)-4,4-dimethoxy-, methyl ester, (Z)-
CAS Number:
89630-97-7
Molecular Formula:
C15H26O6
Molecular Weight:
302.3633
IUPAC Name:
methyl 5-acetyloxy-4,4-dimethoxydec-2-enoate
InChI:
InChI=1S/C15H26O6/c1-6-7-8-9-13(21-12(2)16)15(19-4,20-5)11-10-14(17)18-3/h10-11,13H,6-9H2,1-5H3
InChI Key:
PURCXXRRSYLVMO-UHFFFAOYSA-N
SMILES:
CCCCCC(C(/C=C\C(=O)OC)(OC)OC)OC(=O)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.367g/mol
Monoisotopic Mass:
302.173g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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