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71501-13-8 | DIISOBUTYLMALONIC ACID DIETHYL ESTER
CAS No: 71501-13-8 Catalog No: AG005HOV MDL No:MFCD00191422
Product Description
Catalog Number:
AG005HOV
Chemical Name:
DIISOBUTYLMALONIC ACID DIETHYL ESTER
CAS Number:
71501-13-8
Molecular Formula:
C15H28O4
Molecular Weight:
272.3804
MDL Number:
MFCD00191422
IUPAC Name:
diethyl 2,2-di(butan-2-yl)propanedioate
InChI:
InChI=1S/C15H28O4/c1-7-11(5)15(12(6)8-2,13(16)18-9-3)14(17)19-10-4/h11-12H,7-10H2,1-6H3
InChI Key:
LSWBHWKZVGFJSW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)(CC(C)C)CC(C)C
EC Number:
275-545-2
Properties
Complexity:
269
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:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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