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89630-95-5 | 2-Octenoic acid, 5-(acetyloxy)-4,4-dimethoxy-, methyl ester, (Z)-
CAS No: 89630-95-5 Catalog No: AG003WZK MDL No:
Product Description
Catalog Number:
AG003WZK
Chemical Name:
2-Octenoic acid, 5-(acetyloxy)-4,4-dimethoxy-, methyl ester, (Z)-
CAS Number:
89630-95-5
Molecular Formula:
C13H22O6
Molecular Weight:
274.3102
IUPAC Name:
methyl 5-acetyloxy-4,4-dimethoxyoct-2-enoate
InChI:
InChI=1S/C13H22O6/c1-6-7-11(19-10(2)14)13(17-4,18-5)9-8-12(15)16-3/h8-9,11H,6-7H2,1-5H3
InChI Key:
ZBBDDYMDYOOPDU-UHFFFAOYSA-N
SMILES:
CCCC(C(/C=C\C(=O)OC)(OC)OC)OC(=O)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.313g/mol
Monoisotopic Mass:
274.142g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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