Home Other Building Blocks (6-Nitrobenzo[d][1,3]dioxol-5-yl)methanol

(6-Nitrobenzo[d][1,3]dioxol-5-yl)methanol

CAS No.:
15341-08-9
Catalog Number:
AG003NBH
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
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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
Properties