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40020-87-9 | 1-(7-Hydroxybenzofuran-2-yl)ethanone
CAS No: 40020-87-9 Catalog No: AG003D1Y MDL No:MFCD00191373
Product Description
Catalog Number:
AG003D1Y
Chemical Name:
1-(7-Hydroxybenzofuran-2-yl)ethanone
CAS Number:
40020-87-9
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
MDL Number:
MFCD00191373
IUPAC Name:
1-(7-hydroxy-1-benzofuran-2-yl)ethanone
InChI:
InChI=1S/C10H8O3/c1-6(11)9-5-7-3-2-4-8(12)10(7)13-9/h2-5,12H,1H3
InChI Key:
HRIVIHCUSKDPNK-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc2c(o1)c(O)ccc2
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:
1.9
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