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7158-91-0 | 4,5-dimethoxy-2-nitro-phenol
CAS No: 7158-91-0 Catalog No: AG005S7Q MDL No:
Product Description
Catalog Number:
AG005S7Q
Chemical Name:
4,5-dimethoxy-2-nitro-phenol
CAS Number:
7158-91-0
Molecular Formula:
C8H9NO5
Molecular Weight:
199.1608
IUPAC Name:
4,5-dimethoxy-2-nitrophenol
InChI:
InChI=1S/C8H9NO5/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4,10H,1-2H3
InChI Key:
KBEJHHWQKHGDNC-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(cc1OC)O
NSC Number:
167884
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.048g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.162g/mol
Monoisotopic Mass:
199.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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