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89635-70-1 | Butanoic acid, 3,3-dimethyl-2,4-dioxo-, methyl ester
CAS No: 89635-70-1 Catalog No: AG003WIP MDL No:
Product Description
Catalog Number:
AG003WIP
Chemical Name:
Butanoic acid, 3,3-dimethyl-2,4-dioxo-, methyl ester
CAS Number:
89635-70-1
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
IUPAC Name:
methyl 3,3-dimethyl-2,4-dioxobutanoate
InChI:
InChI=1S/C7H10O4/c1-7(2,4-8)5(9)6(10)11-3/h4H,1-3H3
InChI Key:
WAVBXEANWAABDQ-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)C(C=O)(C)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.153g/mol
Monoisotopic Mass:
158.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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