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Home > Nitro Compounds > 7145-49-5
7145-49-5 | 3-methoxy-5-nitrophenol
CAS No: 7145-49-5 Catalog No: AG0036KT MDL No:
Product Description
Catalog Number:
AG0036KT
Chemical Name:
3-methoxy-5-nitrophenol
CAS Number:
7145-49-5
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
IUPAC Name:
3-methoxy-5-nitrophenol
InChI:
InChI=1S/C7H7NO4/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4,9H,1H3
InChI Key:
YETHUNXROLCEGJ-UHFFFAOYSA-N
SMILES:
COc1cc(O)cc(c1)[N+](=O)[O-]
NSC Number:
74342
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:
1
Isotope Atom Count:
0
Molecular Weight:
169.136g/mol
Monoisotopic Mass:
169.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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