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Home > Nitro Compounds > 67161-42-6
67161-42-6 | 1,3,2-Dioxaborinane-5-methanol, 2-hydroxy-5-nitro-
CAS No: 67161-42-6 Catalog No: AG005QT9 MDL No:
Product Description
Catalog Number:
AG005QT9
Chemical Name:
1,3,2-Dioxaborinane-5-methanol, 2-hydroxy-5-nitro-
CAS Number:
67161-42-6
Molecular Formula:
C4H8BNO6
Molecular Weight:
176.9204
IUPAC Name:
(2-hydroxy-5-nitro-1,3,2-dioxaborinan-5-yl)methanol
InChI:
InChI=1S/C4H8BNO6/c7-1-4(6(9)10)2-11-5(8)12-3-4/h7-8H,1-3H2
InChI Key:
FNJAUZDKCZCHAS-UHFFFAOYSA-N
SMILES:
OCC1(COB(OC1)O)[N+](=O)[O-]
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.044g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.919g/mol
Monoisotopic Mass:
177.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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