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833446-74-5 | 4(2H)-Benzofuranone, 3,5,6,7-tetrahydro-2-(1-oxopropyl)-
CAS No: 833446-74-5 Catalog No: AG0055SW MDL No:
Product Description
Catalog Number:
AG0055SW
Chemical Name:
4(2H)-Benzofuranone, 3,5,6,7-tetrahydro-2-(1-oxopropyl)-
CAS Number:
833446-74-5
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
2-propanoyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
InChI:
InChI=1S/C11H14O3/c1-2-8(12)11-6-7-9(13)4-3-5-10(7)14-11/h11H,2-6H2,1H3
InChI Key:
MOSVZLLBGOJDJV-UHFFFAOYSA-N
SMILES:
CCC(=O)C1OC2=C(C1)C(=O)CCC2
Properties
Complexity:
315
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:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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