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159873-66-2 | Benzenemethanol, 2,3-dimethoxy-5-nitro-
CAS No: 159873-66-2 Catalog No: AG001RGO MDL No:
Product Description
Catalog Number:
AG001RGO
Chemical Name:
Benzenemethanol, 2,3-dimethoxy-5-nitro-
CAS Number:
159873-66-2
Molecular Formula:
C9H11NO5
Molecular Weight:
213.1873
IUPAC Name:
(2,3-dimethoxy-5-nitrophenyl)methanol
InChI:
InChI=1S/C9H11NO5/c1-14-8-4-7(10(12)13)3-6(5-11)9(8)15-2/h3-4,11H,5H2,1-2H3
InChI Key:
FNKSXKRYWRMABF-UHFFFAOYSA-N
SMILES:
COc1c(CO)cc(cc1OC)[N+](=O)[O-]
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.189g/mol
Monoisotopic Mass:
213.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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