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89630-94-4 | 2-Heptenoic acid, 5-(acetyloxy)-4,4-dimethoxy-, methyl ester, (Z)-
CAS No: 89630-94-4 Catalog No: AG003WZL MDL No:
Product Description
Catalog Number:
AG003WZL
Chemical Name:
2-Heptenoic acid, 5-(acetyloxy)-4,4-dimethoxy-, methyl ester, (Z)-
CAS Number:
89630-94-4
Molecular Formula:
C12H20O6
Molecular Weight:
260.2836
IUPAC Name:
methyl 5-acetyloxy-4,4-dimethoxyhept-2-enoate
InChI:
InChI=1S/C12H20O6/c1-6-10(18-9(2)13)12(16-4,17-5)8-7-11(14)15-3/h7-8,10H,6H2,1-5H3
InChI Key:
ZRBORIKUVJWAQC-UHFFFAOYSA-N
SMILES:
CCC(C(/C=C\C(=O)OC)(OC)OC)OC(=O)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.286g/mol
Monoisotopic Mass:
260.126g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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