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13161-32-5 | 1(3H)-Isobenzofuranone, 4-hydroxy-
CAS No: 13161-32-5 Catalog No: AG000ZIE MDL No:MFCD15143974
Product Description
Catalog Number:
AG000ZIE
Chemical Name:
1(3H)-Isobenzofuranone, 4-hydroxy-
CAS Number:
13161-32-5
Molecular Formula:
C8H6O3
Molecular Weight:
150.1314
MDL Number:
MFCD15143974
IUPAC Name:
4-hydroxy-3H-2-benzofuran-1-one
InChI:
InChI=1S/C8H6O3/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3,9H,4H2
InChI Key:
ZSCIMKFWMUXNBS-UHFFFAOYSA-N
SMILES:
O=C1OCc2c1cccc2O
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.032g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.133g/mol
Monoisotopic Mass:
150.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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