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Home > Nitro Compounds > 149910-66-7
149910-66-7 | Benzeneethanol, 2-(hydroxymethyl)-4-nitro-
CAS No: 149910-66-7 Catalog No: AG001M3M MDL No:
Product Description
Catalog Number:
AG001M3M
Chemical Name:
Benzeneethanol, 2-(hydroxymethyl)-4-nitro-
CAS Number:
149910-66-7
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
IUPAC Name:
2-[2-(hydroxymethyl)-4-nitrophenyl]ethanol
InChI:
InChI=1S/C9H11NO4/c11-4-3-7-1-2-9(10(13)14)5-8(7)6-12/h1-2,5,11-12H,3-4,6H2
InChI Key:
LHYRRHWYOPLOBK-UHFFFAOYSA-N
SMILES:
OCCc1ccc(cc1CO)[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:
2
Isotope Atom Count:
0
Molecular Weight:
197.19g/mol
Monoisotopic Mass:
197.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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