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116214-60-9 | 6-Octenoic acid, 7-methyl-5-oxo-, ethyl ester
CAS No: 116214-60-9 Catalog No: AG000BXM MDL No:
Product Description
Catalog Number:
AG000BXM
Chemical Name:
6-Octenoic acid, 7-methyl-5-oxo-, ethyl ester
CAS Number:
116214-60-9
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
IUPAC Name:
ethyl 7-methyl-5-oxooct-6-enoate
InChI:
InChI=1S/C11H18O3/c1-4-14-11(13)7-5-6-10(12)8-9(2)3/h8H,4-7H2,1-3H3
InChI Key:
LHDQJYZNALUFTO-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(=O)C=C(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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