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88912-55-4 | 1,4-Cyclohexanedicarboxylic acid, dipropyl ester, trans-
CAS No: 88912-55-4 Catalog No: AG0048RB MDL No:
Product Description
Catalog Number:
AG0048RB
Chemical Name:
1,4-Cyclohexanedicarboxylic acid, dipropyl ester, trans-
CAS Number:
88912-55-4
Molecular Formula:
C14H24O4
Molecular Weight:
256.3380
IUPAC Name:
dipropyl cyclohexane-1,4-dicarboxylate
InChI:
InChI=1S/C14H24O4/c1-3-9-17-13(15)11-5-7-12(8-6-11)14(16)18-10-4-2/h11-12H,3-10H2,1-2H3
InChI Key:
YTZVKGLPOSQCML-UHFFFAOYSA-N
SMILES:
CCCOC(=O)[C@@H]1CC[C@H](CC1)C(=O)OCCC
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.167g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.342g/mol
Monoisotopic Mass:
256.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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