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39520-25-7 | Dimethyl 2-(tert-butyl);malonate
CAS No: 39520-25-7 Catalog No: AG003PMN MDL No:MFCD08436110
Product Description
Catalog Number:
AG003PMN
Chemical Name:
Dimethyl 2-(tert-butyl);malonate
CAS Number:
39520-25-7
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
MDL Number:
MFCD08436110
IUPAC Name:
dimethyl 2-tert-butylpropanedioate
InChI:
InChI=1S/C9H16O4/c1-9(2,3)6(7(10)12-4)8(11)13-5/h6H,1-5H3
InChI Key:
OBANUQSDPDUGSL-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(C)(C)C)C(=O)OC
Properties
Complexity:
186
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:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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