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Home > Nitro Compounds > 1823900-84-0
1823900-84-0 | Phenol, 3-methoxy-5-methyl-2-nitro-
CAS No: 1823900-84-0 Catalog No: AG0023R9 MDL No:
Product Description
Catalog Number:
AG0023R9
Chemical Name:
Phenol, 3-methoxy-5-methyl-2-nitro-
CAS Number:
1823900-84-0
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
IUPAC Name:
3-methoxy-5-methyl-2-nitrophenol
InChI:
InChI=1S/C8H9NO4/c1-5-3-6(10)8(9(11)12)7(4-5)13-2/h3-4,10H,1-2H3
InChI Key:
AJVCZLVJSCBPDB-UHFFFAOYSA-N
SMILES:
COc1cc(C)cc(c1[N+](=O)[O-])O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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