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24731-07-5 | Cyclohexanecarboxylic acid, 2-oxo-1-(2-oxopropyl)-, ethyl ester
CAS No: 24731-07-5 Catalog No: AG002P97 MDL No:
Product Description
Catalog Number:
AG002P97
Chemical Name:
Cyclohexanecarboxylic acid, 2-oxo-1-(2-oxopropyl)-, ethyl ester
CAS Number:
24731-07-5
Molecular Formula:
C12H18O4
Molecular Weight:
226.2689
IUPAC Name:
ethyl 2-oxo-1-(2-oxopropyl)cyclohexane-1-carboxylate
InChI:
InChI=1S/C12H18O4/c1-3-16-11(15)12(8-9(2)13)7-5-4-6-10(12)14/h3-8H2,1-2H3
InChI Key:
TYDNIGLSKOILTL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCCCC1=O)CC(=O)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.272g/mol
Monoisotopic Mass:
226.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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