| CAS Number | 133595-72-9 |
| Catalog Number | AG00AI0J(AGN-PC-0WBXFI) |
| Chemical Name | 4-[1-(hydroxyimino)propyl]phenol |
| IUPAC Name | 4-(C-ethyl-N-hydroxycarbonimidoyl)phenol |
| InChI | InChI=1S/C9H11NO2/c1-2-9(10-12)7-3-5-8(11)6-4-7/h3-6,11-12H,2H2,1H3 |
| InChI Key | PKYVORCYLUSKQL-UHFFFAOYSA-N |
| MDL Number | MFCD09859619 |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| SMILES | CCC(C1=CC=C(O)C=C1)=NO |
| Synonyms | 1-(4-hydroxyphenyl)-1-propanone oxime,
4-[1-(hydroxyimino)propyl]phenol,
133595-72-9,
CTK6B1348,
CTK6C6375,
CTK8F1564,
AKOS030232147,
ZINC254301501,
MCULE-1122770030,
KS-000045A2,
Z49568596,
1-Propanone, 1-(4-hydroxyphenyl)-, oxime,
(1E)-1-(4-hydroxyphenyl)propan-1-one oxime,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.192g/mol |
| Monoisotopic Mass | 165.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number