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88710-75-2 | Propanedioic acid, (1,2-dimethyl-3-oxocyclohexyl)-, diethyl ester
CAS No: 88710-75-2 Catalog No: AG0045DO MDL No:
Product Description
Catalog Number:
AG0045DO
Chemical Name:
Propanedioic acid, (1,2-dimethyl-3-oxocyclohexyl)-, diethyl ester
CAS Number:
88710-75-2
Molecular Formula:
C15H24O5
Molecular Weight:
284.3481
IUPAC Name:
diethyl 2-(1,2-dimethyl-3-oxocyclohexyl)propanedioate
InChI:
InChI=1S/C15H24O5/c1-5-19-13(17)12(14(18)20-6-2)15(4)9-7-8-11(16)10(15)3/h10,12H,5-9H2,1-4H3
InChI Key:
HDWGVUUSHRMBPI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C1(C)CCCC(=O)C1C)C(=O)OCC
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.162g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.352g/mol
Monoisotopic Mass:
284.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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