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88710-74-1 | Propanedioic acid, methyl(1-methyl-3-oxocyclohexyl)-, diethyl ester
CAS No: 88710-74-1 Catalog No: AG0045UH MDL No:
Product Description
Catalog Number:
AG0045UH
Chemical Name:
Propanedioic acid, methyl(1-methyl-3-oxocyclohexyl)-, diethyl ester
CAS Number:
88710-74-1
Molecular Formula:
C15H24O5
Molecular Weight:
284.3481
IUPAC Name:
diethyl 2-methyl-2-(1-methyl-3-oxocyclohexyl)propanedioate
InChI:
InChI=1S/C15H24O5/c1-5-19-12(17)15(4,13(18)20-6-2)14(3)9-7-8-11(16)10-14/h5-10H2,1-4H3
InChI Key:
RNMIMAQCWIFZQV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C1(C)CCCC(=O)C1)(C(=O)OCC)C
Properties
Complexity:
383
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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