Home Carboxys Cyclohexanecarboxylic acid, 3-acetyl-4-oxo-, ethyl ester

Cyclohexanecarboxylic acid, 3-acetyl-4-oxo-, ethyl ester

CAS No.:
107861-64-3
Catalog Number:
AG00HB1J
Molecular Formula:
C11H16O4
Molecular Weight:
212.2423
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$644
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Product Description
Catalog Number:
AG00HB1J
Chemical Name:
Cyclohexanecarboxylic acid, 3-acetyl-4-oxo-, ethyl ester
CAS Number:
107861-64-3
Molecular Formula:
C11H16O4
Molecular Weight:
212.2423
MDL Number:
MFCD23978405
IUPAC Name:
ethyl 3-acetyl-4-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C11H16O4/c1-3-15-11(14)8-4-5-10(13)9(6-8)7(2)12/h8-9H,3-6H2,1-2H3
InChI Key:
ZXZJORMCJNXQAB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCC(=O)C(C1)C(=O)C
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.105g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.245g/mol
Monoisotopic Mass:
212.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties