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1466-14-4 | 2-Octenoic acid, 3-methyl-, ethyl ester, (2E)-
CAS No: 1466-14-4 Catalog No: AG001E6O MDL No:
Product Description
Catalog Number:
AG001E6O
Chemical Name:
2-Octenoic acid, 3-methyl-, ethyl ester, (2E)-
CAS Number:
1466-14-4
Molecular Formula:
C11H20O2
Molecular Weight:
184.2753
IUPAC Name:
ethyl 3-methyloct-2-enoate
InChI:
InChI=1S/C11H20O2/c1-4-6-7-8-10(3)9-11(12)13-5-2/h9H,4-8H2,1-3H3
InChI Key:
HOPWWZLAYCOLHH-UHFFFAOYSA-N
SMILES:
CCCCC/C(=C/C(=O)OCC)/C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.146g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.279g/mol
Monoisotopic Mass:
184.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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