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39520-24-6 | Dimethyl 2-isobutylmalonate
CAS No: 39520-24-6 Catalog No: AG003PND MDL No:MFCD00015640
Product Description
Catalog Number:
AG003PND
Chemical Name:
Dimethyl 2-isobutylmalonate
CAS Number:
39520-24-6
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
MDL Number:
MFCD00015640
IUPAC Name:
dimethyl 2-(2-methylpropyl)propanedioate
InChI:
InChI=1S/C9H16O4/c1-6(2)5-7(8(10)12-3)9(11)13-4/h6-7H,5H2,1-4H3
InChI Key:
GAZFDPSEEIVCEX-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC)CC(C)C
EC Number:
254-490-8
Properties
Complexity:
170
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:
1.9
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