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7797-83-3 | Benzo[d][1,3]dioxole-4-carbaldehyde
CAS No: 7797-83-3 Catalog No: AG003O1V MDL No:MFCD00016902
Product Description
Catalog Number:
AG003O1V
Chemical Name:
Benzo[d][1,3]dioxole-4-carbaldehyde
CAS Number:
7797-83-3
Molecular Formula:
C8H6O3
Molecular Weight:
150.1314
MDL Number:
MFCD00016902
IUPAC Name:
1,3-benzodioxole-4-carbaldehyde
InChI:
InChI=1S/C8H6O3/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-4H,5H2
InChI Key:
QZMQKPGVXNSITP-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1OCO2
EC Number:
232-252-4
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.032g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.133g/mol
Monoisotopic Mass:
150.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| (E)-3-(2H-1,3-Benzodioxol-5-yl)-1-(7-hy-droxy-5-meth-oxy-2,2-dimethyl-chroman-8-yl)prop-2-en-1-one. | Acta crystallographica. Section E, Structure reports online 20110901 |
| In vitro biological studies and structural elucidation of fluoro-substituted phenyl acrylic acids. | Drug development and industrial pharmacy 20100901 |
| Parameters of Reserpine Analogs That Induce MSH2/MSH6-Dependent Cytotoxic Response. | Journal of nucleic acids 20100101 |
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