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833446-76-7 | 4(2H)-Benzofuranone, 2-acetyl-3,5,6,7-tetrahydro-2-methyl-
CAS No: 833446-76-7 Catalog No: AG004X90 MDL No:
Product Description
Catalog Number:
AG004X90
Chemical Name:
4(2H)-Benzofuranone, 2-acetyl-3,5,6,7-tetrahydro-2-methyl-
CAS Number:
833446-76-7
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
2-acetyl-2-methyl-3,5,6,7-tetrahydro-1-benzofuran-4-one
InChI:
InChI=1S/C11H14O3/c1-7(12)11(2)6-8-9(13)4-3-5-10(8)14-11/h3-6H2,1-2H3
InChI Key:
BETALYSXZVKWQM-UHFFFAOYSA-N
SMILES:
O=C1CCCC2=C1CC(O2)(C)C(=O)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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