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55745-70-5 | 2,3-Dihydrobenzo[b]furan-5-carbaldehyde
CAS No: 55745-70-5 Catalog No: AG003FJ2 MDL No:MFCD00068058
Product Description
Catalog Number:
AG003FJ2
Chemical Name:
2,3-Dihydrobenzo[b]furan-5-carbaldehyde
CAS Number:
55745-70-5
Molecular Formula:
C9H8O2
Molecular Weight:
148.1586
MDL Number:
MFCD00068058
IUPAC Name:
2,3-dihydro-1-benzofuran-5-carbaldehyde
InChI:
InChI=1S/C9H8O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5-6H,3-4H2
InChI Key:
WEBVDBDZSOJGPB-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)CCO2
EC Number:
259-788-1
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.052g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.161g/mol
Monoisotopic Mass:
148.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase. | Journal of medicinal chemistry 20110113 |
| (E)-5-(2-Nitro-prop-1-en-yl)-2,3-dihydro-1-benzofuran. | Acta crystallographica. Section E, Structure reports online 20090701 |
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