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6065-63-0 | Diethyl 2,2-dipropylmalonate
CAS No: 6065-63-0 Catalog No: AG003PGK MDL No:MFCD00026840
Product Description
Catalog Number:
AG003PGK
Chemical Name:
Diethyl 2,2-dipropylmalonate
CAS Number:
6065-63-0
Molecular Formula:
C13H24O4
Molecular Weight:
244.3273
MDL Number:
MFCD00026840
IUPAC Name:
diethyl 2,2-dipropylpropanedioate
InChI:
InChI=1S/C13H24O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h5-10H2,1-4H3
InChI Key:
NNDOHYGFLASMFR-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)OCC)(C(=O)OCC)CCC
EC Number:
227-998-2
NSC Number:
163902
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.167g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.331g/mol
Monoisotopic Mass:
244.167g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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