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2-Acetyl-7-hydroxybenzofuran

CAT: 0024-sc-470317Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-470317Size:5 g
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CAS Number
40020-87-9

Chemical Information

2-Acetyl-7-hydroxybenzofuran
CAS Number40020-87-9
PubChem CID595329
IUPAC Name1-(7-hydroxy-1-benzofuran-2-yl)ethanone
Molecular FormulaC10H8O3
Molecular Weight176.17
XLogP1.9
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity214
SMILES
CC(=O)C1=CC2=C(O1)C(=CC=C2)O
InChI
InChI=1S/C10H8O3/c1-6(11)9-5-7-3-2-4-8(12)10(7)13-9/h2-5,12H,1H3
InChIKey
HRIVIHCUSKDPNK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Acetyl-7-hydroxybenzofuran
CAS: 40020-87-9
CID: 595329
Formula: C10H8O3
MW: 176.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight176.17
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass176.047344113
Monoisotopic Mass176.047344113
Topological Polar Surface Area50.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity214
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