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101012-55-9 | 2(3H)-Benzofuranone, 3-(1-hydroxyethylidene)-
CAS No: 101012-55-9 Catalog No: AG0003JG MDL No:
Product Description
Catalog Number:
AG0003JG
Chemical Name:
2(3H)-Benzofuranone, 3-(1-hydroxyethylidene)-
CAS Number:
101012-55-9
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
IUPAC Name:
1-(2-hydroxy-1-benzofuran-3-yl)ethanone
InChI:
InChI=1S/C10H8O3/c1-6(11)9-7-4-2-3-5-8(7)13-10(9)12/h2-5,12H,1H3
InChI Key:
GBGXGSMLWJEEDX-UHFFFAOYSA-N
SMILES:
CC(=C1C(=O)Oc2c1cccc2)O
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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