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Home > Nitro Compounds > 81029-03-0
81029-03-0 | 1-Methoxy-2,3-dimethyl-4-nitrobenzene
CAS No: 81029-03-0 Catalog No: AG003FK2 MDL No:MFCD00007163
Product Description
Catalog Number:
AG003FK2
Chemical Name:
1-Methoxy-2,3-dimethyl-4-nitrobenzene
CAS Number:
81029-03-0
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD00007163
IUPAC Name:
1-methoxy-2,3-dimethyl-4-nitrobenzene
InChI:
InChI=1S/C9H11NO3/c1-6-7(2)9(13-3)5-4-8(6)10(11)12/h4-5H,1-3H3
InChI Key:
DUBFMQLUMHKYOX-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1C)C)[N+](=O)[O-]
EC Number:
279-674-5
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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