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Home > Nitro Compounds > 127818-58-0
127818-58-0 | Phenol, 3-methyl-5-nitro-
CAS No: 127818-58-0 Catalog No: AG000XFI MDL No:MFCD09038591
Product Description
Catalog Number:
AG000XFI
Chemical Name:
Phenol, 3-methyl-5-nitro-
CAS Number:
127818-58-0
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD09038591
IUPAC Name:
3-methyl-5-nitrophenol
InChI:
InChI=1S/C7H7NO3/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,9H,1H3
InChI Key:
KDKCEPVMXOUFJD-UHFFFAOYSA-N
SMILES:
Cc1cc(O)cc(c1)[N+](=O)[O-]
NSC Number:
41202
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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