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233666-04-1 | Butanoic acid, 2-ethyl-, 3-hexen-1-yl ester
CAS No: 233666-04-1 Catalog No: AG002MZH MDL No:
Product Description
Catalog Number:
AG002MZH
Chemical Name:
Butanoic acid, 2-ethyl-, 3-hexen-1-yl ester
CAS Number:
233666-04-1
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
hex-3-enyl 2-ethylbutanoate
InChI:
InChI=1S/C12H22O2/c1-4-7-8-9-10-14-12(13)11(5-2)6-3/h7-8,11H,4-6,9-10H2,1-3H3
InChI Key:
LFDWLVXNYKQQBT-UHFFFAOYSA-N
SMILES:
CCC=CCCOC(=O)C(CC)CC
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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