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137123-79-6 | 6-Heptenoic acid, 6-methyl-4-oxo-, ethyl ester
CAS No: 137123-79-6 Catalog No: AG0012UW MDL No:
Product Description
Catalog Number:
AG0012UW
Chemical Name:
6-Heptenoic acid, 6-methyl-4-oxo-, ethyl ester
CAS Number:
137123-79-6
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
ethyl 6-methyl-4-oxohept-6-enoate
InChI:
InChI=1S/C10H16O3/c1-4-13-10(12)6-5-9(11)7-8(2)3/h2,4-7H2,1,3H3
InChI Key:
BIKXECDMWIYRPC-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)CC(=C)C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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