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16806-93-2 | 4(5H)-Benzofuranone, 6,7-dihydro-
CAS No: 16806-93-2 Catalog No: AG001XRX MDL No:MFCD00215511
Product Description
Catalog Number:
AG001XRX
Chemical Name:
4(5H)-Benzofuranone, 6,7-dihydro-
CAS Number:
16806-93-2
Molecular Formula:
C8H8O2
Molecular Weight:
136.1479
MDL Number:
MFCD00215511
IUPAC Name:
6,7-dihydro-5H-1-benzofuran-4-one
InChI:
InChI=1S/C8H8O2/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5H,1-3H2
InChI Key:
DXWQOYPYNPSVRL-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1cco2
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.052g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.15g/mol
Monoisotopic Mass:
136.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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