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10235-71-9 | 2-Butanone, 3-(acetyloxy)-3-methyl-
CAS No: 10235-71-9 Catalog No: AG00078J MDL No:
Product Description
Catalog Number:
AG00078J
Chemical Name:
2-Butanone, 3-(acetyloxy)-3-methyl-
CAS Number:
10235-71-9
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
IUPAC Name:
(2-methyl-3-oxobutan-2-yl) acetate
InChI:
InChI=1S/C7H12O3/c1-5(8)7(3,4)10-6(2)9/h1-4H3
InChI Key:
GLJOZIJFBJYYHE-UHFFFAOYSA-N
SMILES:
CC(=O)OC(C(=O)C)(C)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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