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712-97-0 | 6-Nitrobenzo[d][1,3]dioxole-5-carbaldehyde
CAS No: 712-97-0 Catalog No: AG003NBA MDL No:MFCD00005829
Product Description
Catalog Number:
AG003NBA
Chemical Name:
6-Nitrobenzo[d][1,3]dioxole-5-carbaldehyde
CAS Number:
712-97-0
Molecular Formula:
C8H5NO5
Molecular Weight:
195.1290
MDL Number:
MFCD00005829
IUPAC Name:
6-nitro-1,3-benzodioxole-5-carbaldehyde
InChI:
InChI=1S/C8H5NO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-3H,4H2
InChI Key:
NRZWECORTTWSEF-UHFFFAOYSA-N
SMILES:
O=Cc1cc2OCOc2cc1[N+](=O)[O-]
EC Number:
211-926-1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.13g/mol
Monoisotopic Mass:
195.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Effects of 4,5-dimethoxy groups on the time-resolved photoconversion of 2-nitrobenzyl alcohols and 2-nitrobenzaldehyde into nitroso derivatives. | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20051001 |
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