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1139-13-5 | 1,1-Cyclohexanedicarboxylic acid, 1,1-diethyl ester
CAS No: 1139-13-5 Catalog No: AG000A1C MDL No:MFCD02093457
Product Description
Catalog Number:
AG000A1C
Chemical Name:
1,1-Cyclohexanedicarboxylic acid, 1,1-diethyl ester
CAS Number:
1139-13-5
Molecular Formula:
C12H20O4
Molecular Weight:
228.2848
MDL Number:
MFCD02093457
IUPAC Name:
diethyl cyclohexane-1,1-dicarboxylate
InChI:
InChI=1S/C12H20O4/c1-3-15-10(13)12(11(14)16-4-2)8-6-5-7-9-12/h3-9H2,1-2H3
InChI Key:
MLHUKQNAQSRVKI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCCCC1)C(=O)OCC
NSC Number:
67359
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.288g/mol
Monoisotopic Mass:
228.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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