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Benzofuran-3-ol

CAT: 0127-OR1039046-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1039046-01Size:100 mg
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CAS Number
107637-99-0
MDL Number
MFCD15143776
Purity
95%
Smiles
C1=CC=C2C(=C1)C(=CO2)O

Chemical Information

1-Benzofuran-3-ol
CAS Number107637-99-0
PubChem CID13311612
IUPAC Name1-benzofuran-3-ol
Molecular FormulaC8H6O2
Molecular Weight134.13
XLogP2
Topological Polar Surface Area33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity124
SMILES
C1=CC=C2C(=C1)C(=CO2)O
InChI
InChI=1S/C8H6O2/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5,9H
InChIKey
RRZMBTOLAQISOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Benzofuran-3-ol
CAS: 107637-99-0
CID: 13311612
Formula: C8H6O2
MW: 134.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.13
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass134.036779430
Monoisotopic Mass134.036779430
Topological Polar Surface Area33.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity124
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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