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1160-32-3 | 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dibutyl ester
CAS No: 1160-32-3 Catalog No: AG000BDE MDL No:
Product Description
Catalog Number:
AG000BDE
Chemical Name:
1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dibutyl ester
CAS Number:
1160-32-3
Molecular Formula:
C16H24O6
Molecular Weight:
312.3582
IUPAC Name:
dibutyl 2,5-dioxocyclohexane-1,4-dicarboxylate
InChI:
InChI=1S/C16H24O6/c1-3-5-7-21-15(19)11-9-14(18)12(10-13(11)17)16(20)22-8-6-4-2/h11-12H,3-10H2,1-2H3
InChI Key:
QWJQTDZOQNQJDW-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C1CC(=O)C(CC1=O)C(=O)OCCCC
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.157g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.362g/mol
Monoisotopic Mass:
312.157g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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