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Home > Nitro Compounds > 15341-08-9
15341-08-9 | (6-Nitrobenzo[d][1,3]dioxol-5-yl)methanol
CAS No: 15341-08-9 Catalog No: AG003NBH MDL No:MFCD00005825
Product Description
Catalog Number:
AG003NBH
Chemical Name:
(6-Nitrobenzo[d][1,3]dioxol-5-yl)methanol
CAS Number:
15341-08-9
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD00005825
IUPAC Name:
(6-nitro-1,3-benzodioxol-5-yl)methanol
InChI:
InChI=1S/C8H7NO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-2,10H,3-4H2
InChI Key:
XSKQKDTZQNFCCB-UHFFFAOYSA-N
SMILES:
OCc1cc2OCOc2cc1[N+](=O)[O-]
EC Number:
239-376-8
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.146g/mol
Monoisotopic Mass:
197.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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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