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13275-31-5 | Cyclohexaneacetic acid, α-oxo-, ethyl ester
CAS No: 13275-31-5 Catalog No: AG00113Z MDL No:MFCD09055348
Product Description
Catalog Number:
AG00113Z
Chemical Name:
Cyclohexaneacetic acid, α-oxo-, ethyl ester
CAS Number:
13275-31-5
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
MDL Number:
MFCD09055348
IUPAC Name:
ethyl 2-cyclohexyl-2-oxoacetate
InChI:
InChI=1S/C10H16O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChI Key:
MAOUXDYQHDQFFV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)C1CCCCC1
Properties
Complexity:
192
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:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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