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137768-94-6 | Pentanedioic acid, 2,4-dimethyl-, 1,5-dicyclohexyl ester
CAS No: 137768-94-6 Catalog No: AG0013T7 MDL No:
Product Description
Catalog Number:
AG0013T7
Chemical Name:
Pentanedioic acid, 2,4-dimethyl-, 1,5-dicyclohexyl ester
CAS Number:
137768-94-6
Molecular Formula:
C19H32O4
Molecular Weight:
324.4550
IUPAC Name:
dicyclohexyl 2,4-dimethylpentanedioate
InChI:
InChI=1S/C19H32O4/c1-14(18(20)22-16-9-5-3-6-10-16)13-15(2)19(21)23-17-11-7-4-8-12-17/h14-17H,3-13H2,1-2H3
InChI Key:
JNSUSASWYUZWBI-UHFFFAOYSA-N
SMILES:
CC(C(=O)OC1CCCCC1)CC(C(=O)OC1CCCCC1)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.23g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.461g/mol
Monoisotopic Mass:
324.23g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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