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20211-01-2 | 1,2-Cyclohexanedicarboxylic acid, 1,2-dicyclohexyl ester
CAS No: 20211-01-2 Catalog No: AG00281Q MDL No:
Product Description
Catalog Number:
AG00281Q
Chemical Name:
1,2-Cyclohexanedicarboxylic acid, 1,2-dicyclohexyl ester
CAS Number:
20211-01-2
Molecular Formula:
C20H32O4
Molecular Weight:
336.4657
IUPAC Name:
dicyclohexyl cyclohexane-1,2-dicarboxylate
InChI:
InChI=1S/C20H32O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h15-18H,1-14H2
InChI Key:
VKPGBQAXQBOSCY-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCC1C(=O)OC1CCCCC1)OC1CCCCC1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.23g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.472g/mol
Monoisotopic Mass:
336.23g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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