| CAS Number | 1951451-50-5 |
| Catalog Number | AG00I3D4(AGN-PC-0WQZWK) |
| Chemical Name | 2-[(2E)-2-(Hydroxyimino)ethyl]-5-methoxyphenol |
| IUPAC Name | 2-(2-hydroxyiminoethyl)-5-methoxyphenol |
| InChI | InChI=1S/C9H11NO3/c1-13-8-3-2-7(4-5-10-12)9(11)6-8/h2-3,5-6,11-12H,4H2,1H3 |
| InChI Key | RFPWPUKIDFPPBL-UHFFFAOYSA-N |
| MDL Number | MFCD29059791 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | O/N=C/Cc1ccc(cc1O)OC |
| Synonyms | 2-[(2E)-2-(HYDROXYIMINO)ETHYL]-5-METHOXYPHENOL,
1951451-50-5,
|
| Complexity | 172 |
| 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 | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.191g/mol |
| Monoisotopic Mass | 181.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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