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10138-59-7 | 1,2-Cyclohexanedicarboxylic acid, 1,2-diethyl ester
CAS No: 10138-59-7 Catalog No: AG0004C5 MDL No:MFCD00029449
Product Description
Catalog Number:
AG0004C5
Chemical Name:
1,2-Cyclohexanedicarboxylic acid, 1,2-diethyl ester
CAS Number:
10138-59-7
Molecular Formula:
C12H20O4
Molecular Weight:
228.2848
MDL Number:
MFCD00029449
IUPAC Name:
diethyl cyclohexane-1,2-dicarboxylate
InChI:
InChI=1S/C12H20O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h9-10H,3-8H2,1-2H3
InChI Key:
ZTUZDYWYNQDJKR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCCC1C(=O)OCC
NSC Number:
408342
Properties
Complexity:
223
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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