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Home > Nitro Compounds > 116314-71-7
116314-71-7 | 1,2-Benzenediol, 5-(hydroxymethyl)-3-nitro-
CAS No: 116314-71-7 Catalog No: AG000C71 MDL No:MFCD25956060
Product Description
Catalog Number:
AG000C71
Chemical Name:
1,2-Benzenediol, 5-(hydroxymethyl)-3-nitro-
CAS Number:
116314-71-7
Molecular Formula:
C7H7NO5
Molecular Weight:
185.1342
MDL Number:
MFCD25956060
IUPAC Name:
5-(hydroxymethyl)-3-nitrobenzene-1,2-diol
InChI:
InChI=1S/C7H7NO5/c9-3-4-1-5(8(12)13)7(11)6(10)2-4/h1-2,9-11H,3H2
InChI Key:
ALWIABFWRLEAKP-UHFFFAOYSA-N
SMILES:
OCc1cc(O)c(c(c1)[N+](=O)[O-])O
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.032g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
185.135g/mol
Monoisotopic Mass:
185.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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