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138234-60-3 | 4-Heptenoic acid, ethyl ester
CAS No: 138234-60-3 Catalog No: AG0018CW MDL No:
Product Description
Catalog Number:
AG0018CW
Chemical Name:
4-Heptenoic acid, ethyl ester
CAS Number:
138234-60-3
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
ethyl hept-4-enoate
InChI:
InChI=1S/C9H16O2/c1-3-5-6-7-8-9(10)11-4-2/h5-6H,3-4,7-8H2,1-2H3
InChI Key:
GITGIBUELGTBSG-UHFFFAOYSA-N
SMILES:
CCC=CCCC(=O)OCC
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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