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Home > Nitro Compounds > 14326-13-7
14326-13-7 | 2-nitro-1-(3,4,5-trimethoxyphenyl)ethanol
CAS No: 14326-13-7 Catalog No: AG01DHW6 MDL No:MFCD01597241
Product Description
Catalog Number:
AG01DHW6
Chemical Name:
2-nitro-1-(3,4,5-trimethoxyphenyl)ethanol
CAS Number:
14326-13-7
Molecular Formula:
C11H15NO6
Molecular Weight:
257.2399
MDL Number:
MFCD01597241
IUPAC Name:
2-nitro-1-(3,4,5-trimethoxyphenyl)ethanol
InChI:
InChI=1S/C11H15NO6/c1-16-9-4-7(8(13)6-12(14)15)5-10(17-2)11(9)18-3/h4-5,8,13H,6H2,1-3H3
InChI Key:
STKSTSQRUAJJQR-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C(C[N+](=O)[O-])O
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.242g/mol
Monoisotopic Mass:
257.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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