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Home > Nitro Compounds > 55776-17-5
55776-17-5 | 2,6-Dimethoxy-3-nitrobenzoic acid
CAS No: 55776-17-5 Catalog No: AG003G52 MDL No:MFCD00017324
Product Description
Catalog Number:
AG003G52
Chemical Name:
2,6-Dimethoxy-3-nitrobenzoic acid
CAS Number:
55776-17-5
Molecular Formula:
C9H9NO6
Molecular Weight:
227.1709
MDL Number:
MFCD00017324
IUPAC Name:
2,6-dimethoxy-3-nitrobenzoic acid
InChI:
InChI=1S/C9H9NO6/c1-15-6-4-3-5(10(13)14)8(16-2)7(6)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key:
YIKBQFPTPKEFSM-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1C(=O)O)OC)[N+](=O)[O-]
EC Number:
259-814-1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.172g/mol
Monoisotopic Mass:
227.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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