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596-75-8 | Diethyl 2,2-dibutylmalonate
CAS No: 596-75-8 Catalog No: AG003PGH MDL No:MFCD00026842
Product Description
Catalog Number:
AG003PGH
Chemical Name:
Diethyl 2,2-dibutylmalonate
CAS Number:
596-75-8
Molecular Formula:
C15H28O4
Molecular Weight:
272.3804
MDL Number:
MFCD00026842
IUPAC Name:
diethyl 2,2-dibutylpropanedioate
InChI:
InChI=1S/C15H28O4/c1-5-9-11-15(12-10-6-2,13(16)18-7-3)14(17)19-8-4/h5-12H2,1-4H3
InChI Key:
WHKKUUPZLWUOIW-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)OCC)(C(=O)OCC)CCCC
EC Number:
209-890-7
UNII:
8M1UZO3IFC
NSC Number:
8913
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.199g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.385g/mol
Monoisotopic Mass:
272.199g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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