| CAS Number | 1800070-34-1 |
| Catalog Number | AG01EIMF |
| Chemical Name | 2-(methoxymethyl)-1-methyl-3-nitrobenzene |
| IUPAC Name | 2-(methoxymethyl)-1-methyl-3-nitrobenzene |
| InChI | InChI=1S/C9H11NO3/c1-7-4-3-5-9(10(11)12)8(7)6-13-2/h3-5H,6H2,1-2H3 |
| InChI Key | IZUNBHDJFCIZMU-UHFFFAOYSA-N |
| MDL Number | MFCD31666723 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | COCC1=C([N+]([O-])=O)C=CC=C1C |
| Synonyms | SCHEMBL18184998,
2-(methoxymethyl)-1-methyl-3-nitrobenzene,
1800070-34-1,
|
| Complexity | 178 |
| 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 | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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