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88710-72-9 | Propanedioic acid, (2,6-dimethyl-3-oxocyclohexyl)methyl-, diethyl ester
CAS No: 88710-72-9 Catalog No: AG0045UI MDL No:
Product Description
Catalog Number:
AG0045UI
Chemical Name:
Propanedioic acid, (2,6-dimethyl-3-oxocyclohexyl)methyl-, diethyl ester
CAS Number:
88710-72-9
Molecular Formula:
C16H26O5
Molecular Weight:
298.3746
IUPAC Name:
diethyl 2-[(2,6-dimethyl-3-oxocyclohexyl)methyl]propanedioate
InChI:
InChI=1S/C16H26O5/c1-5-20-15(18)13(16(19)21-6-2)9-12-10(3)7-8-14(17)11(12)4/h10-13H,5-9H2,1-4H3
InChI Key:
OPHOKXCEQVPKQO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)CC1C(C)CCC(=O)C1C
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.178g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.379g/mol
Monoisotopic Mass:
298.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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