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113709-48-1 | 2-Decenoic acid, 2-methyl-, ethyl ester, (2E)-
CAS No: 113709-48-1 Catalog No: AG0009F2 MDL No:
Product Description
Catalog Number:
AG0009F2
Chemical Name:
2-Decenoic acid, 2-methyl-, ethyl ester, (2E)-
CAS Number:
113709-48-1
Molecular Formula:
C13H24O2
Molecular Weight:
212.3285
IUPAC Name:
ethyl 2-methyldec-2-enoate
InChI:
InChI=1S/C13H24O2/c1-4-6-7-8-9-10-11-12(3)13(14)15-5-2/h11H,4-10H2,1-3H3
InChI Key:
WFAYJKFQVYWLPH-UHFFFAOYSA-N
SMILES:
CCCCCCC/C=C(/C(=O)OCC)\C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.178g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.333g/mol
Monoisotopic Mass:
212.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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