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80035-52-5 | Cyclohexanecarboxylic acid, 2,4-dioxo-6-phenyl-, methyl ester
CAS No: 80035-52-5 Catalog No: AG0055GF MDL No:MFCD00157169
Product Description
Catalog Number:
AG0055GF
Chemical Name:
Cyclohexanecarboxylic acid, 2,4-dioxo-6-phenyl-, methyl ester
CAS Number:
80035-52-5
Molecular Formula:
C14H14O4
Molecular Weight:
246.2586
MDL Number:
MFCD00157169
IUPAC Name:
methyl 2,4-dioxo-6-phenylcyclohexane-1-carboxylate
InChI:
InChI=1S/C14H14O4/c1-18-14(17)13-11(7-10(15)8-12(13)16)9-5-3-2-4-6-9/h2-6,11,13H,7-8H2,1H3
InChI Key:
AUZLBHFNOOBPJL-UHFFFAOYSA-N
SMILES:
COC(=O)C1C(=O)CC(=O)CC1c1ccccc1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.089g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.262g/mol
Monoisotopic Mass:
246.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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