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Home > Nitro Compounds > 88057-19-6
88057-19-6 | 1,2-Ethanediol, 1-(4-nitrophenyl)-
CAS No: 88057-19-6 Catalog No: AG008D77 MDL No:MFCD02667811
Product Description
Catalog Number:
AG008D77
Chemical Name:
1,2-Ethanediol, 1-(4-nitrophenyl)-
CAS Number:
88057-19-6
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
MDL Number:
MFCD02667811
IUPAC Name:
1-(4-nitrophenyl)ethane-1,2-diol
InChI:
InChI=1S/C8H9NO4/c10-5-8(11)6-1-3-7(4-2-6)9(12)13/h1-4,8,10-11H,5H2
InChI Key:
YOJHBFHEOQUUAR-UHFFFAOYSA-N
SMILES:
OCC(c1ccc(cc1)[N+](=O)[O-])O
Properties
Complexity:
172
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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