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1312535-32-2 | Cyclohexanecarboxylic acid, 2,2-diMethyl-4-oxo-, Methyl ester
CAS No: 1312535-32-2 Catalog No: AG000VSQ MDL No:MFCD20926064
Product Description
Catalog Number:
AG000VSQ
Chemical Name:
Cyclohexanecarboxylic acid, 2,2-diMethyl-4-oxo-, Methyl ester
CAS Number:
1312535-32-2
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
MDL Number:
MFCD20926064
IUPAC Name:
methyl 2,2-dimethyl-4-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C10H16O3/c1-10(2)6-7(11)4-5-8(10)9(12)13-3/h8H,4-6H2,1-3H3
InChI Key:
VNJMCDQYRCNFIM-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCC(=O)CC1(C)C
Properties
Complexity:
230
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:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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