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114577-16-1 | 5-Octenoic acid, 2-ethyl-, methyl ester
CAS No: 114577-16-1 Catalog No: AG000EQB MDL No:
Product Description
Catalog Number:
AG000EQB
Chemical Name:
5-Octenoic acid, 2-ethyl-, methyl ester
CAS Number:
114577-16-1
Molecular Formula:
C11H20O2
Molecular Weight:
184.2753
IUPAC Name:
methyl 2-ethyloct-5-enoate
InChI:
InChI=1S/C11H20O2/c1-4-6-7-8-9-10(5-2)11(12)13-3/h6-7,10H,4-5,8-9H2,1-3H3
InChI Key:
VQQXEYCNNXDAFU-UHFFFAOYSA-N
SMILES:
CCC=CCCC(C(=O)OC)CC
Properties
Complexity:
162
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:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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