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Home > Nitro Compounds > 23222-97-1
23222-97-1 | 1,4-Benzenedimethanol, 2-nitro-
CAS No: 23222-97-1 Catalog No: AG002ML2 MDL No:MFCD00024286
Product Description
Catalog Number:
AG002ML2
Chemical Name:
1,4-Benzenedimethanol, 2-nitro-
CAS Number:
23222-97-1
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
MDL Number:
MFCD00024286
IUPAC Name:
[4-(hydroxymethyl)-3-nitrophenyl]methanol
InChI:
InChI=1S/C8H9NO4/c10-4-6-1-2-7(5-11)8(3-6)9(12)13/h1-3,10-11H,4-5H2
InChI Key:
KWVHOBYJXDKIPL-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)[N+](=O)[O-])CO
EC Number:
245-503-8
Properties
Complexity:
180
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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