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Home > Nitro Compounds > 71176-55-1
71176-55-1 | (5-Nitro-1,3-phenylene);dimethanol
CAS No: 71176-55-1 Catalog No: AG003BYA MDL No:MFCD00007274
Product Description
Catalog Number:
AG003BYA
Chemical Name:
(5-Nitro-1,3-phenylene);dimethanol
CAS Number:
71176-55-1
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
MDL Number:
MFCD00007274
IUPAC Name:
[3-(hydroxymethyl)-5-nitrophenyl]methanol
InChI:
InChI=1S/C8H9NO4/c10-4-6-1-7(5-11)3-8(2-6)9(12)13/h1-3,10-11H,4-5H2
InChI Key:
FTLFITNFXXERLN-UHFFFAOYSA-N
SMILES:
OCc1cc(CO)cc(c1)[N+](=O)[O-]
EC Number:
275-255-6
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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