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Home > Nitro Compounds > 180628-74-4
180628-74-4 | Benzenemethanol, 3-hydroxy-5-nitro-
CAS No: 180628-74-4 Catalog No: AG002268 MDL No:MFCD11870181
Product Description
Catalog Number:
AG002268
Chemical Name:
Benzenemethanol, 3-hydroxy-5-nitro-
CAS Number:
180628-74-4
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
MDL Number:
MFCD11870181
IUPAC Name:
3-(hydroxymethyl)-5-nitrophenol
InChI:
InChI=1S/C7H7NO4/c9-4-5-1-6(8(11)12)3-7(10)2-5/h1-3,9-10H,4H2
InChI Key:
YMZVBCSTUGYGBQ-UHFFFAOYSA-N
SMILES:
OCc1cc(O)cc(c1)[N+](=O)[O-]
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.136g/mol
Monoisotopic Mass:
169.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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