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27132-23-6 | Dimethyl 2,2-diethylmalonate
CAS No: 27132-23-6 Catalog No: AG003PLW MDL No:MFCD00008444
Product Description
Catalog Number:
AG003PLW
Chemical Name:
Dimethyl 2,2-diethylmalonate
CAS Number:
27132-23-6
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
MDL Number:
MFCD00008444
IUPAC Name:
dimethyl 2,2-diethylpropanedioate
InChI:
InChI=1S/C9H16O4/c1-5-9(6-2,7(10)12-3)8(11)13-4/h5-6H2,1-4H3
InChI Key:
AYBLPISRXMEMBV-UHFFFAOYSA-N
SMILES:
CCC(C(=O)OC)(C(=O)OC)CC
EC Number:
248-242-8
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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