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Home > Nitro Compounds > 168766-15-2
168766-15-2 | Benzeneethanol, 3-methoxy-4-nitro-
CAS No: 168766-15-2 Catalog No: AG001Y9A MDL No:MFCD13192130
Product Description
Catalog Number:
AG001Y9A
Chemical Name:
Benzeneethanol, 3-methoxy-4-nitro-
CAS Number:
168766-15-2
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
MDL Number:
MFCD13192130
IUPAC Name:
2-(3-methoxy-4-nitrophenyl)ethanol
InChI:
InChI=1S/C9H11NO4/c1-14-9-6-7(4-5-11)2-3-8(9)10(12)13/h2-3,6,11H,4-5H2,1H3
InChI Key:
JCFZFLNOEQDXIZ-UHFFFAOYSA-N
SMILES:
OCCc1ccc(c(c1)OC)[N+](=O)[O-]
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.19g/mol
Monoisotopic Mass:
197.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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