Home Other Building Blocks 5-NITRO-M-XYLENE-ALPHA,ALPHA'-DIOL

5-NITRO-M-XYLENE-ALPHA,ALPHA'-DIOL

CAS No.:
71176-55-1
Catalog Number:
AG003BYA
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
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Product Description
Catalog Number:
AG003BYA
Chemical Name:
5-NITRO-M-XYLENE-ALPHA,ALPHA'-DIOL
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
Properties