| CAS Number | 108490-80-8 |
| Catalog Number | AG01B27K(AGN-PC-0JNHQX) |
| Chemical Name | 3-hydroxyphenyl N-ethylcarbamate |
| IUPAC Name | (3-hydroxyphenyl) N-ethylcarbamate |
| InChI | InChI=1S/C9H11NO3/c1-2-10-9(12)13-8-5-3-4-7(11)6-8/h3-6,11H,2H2,1H3,(H,10,12) |
| InChI Key | VEICXUIUCXSTCO-UHFFFAOYSA-N |
| MDL Number | MFCD29907342 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | CCNC(OC1=CC(O)=CC=C1)=O |
| Synonyms | 108490-80-8,
3-hydroxyphenyl N-ethylcarbamate,
Carbamic acid, ethyl-, 3-hydroxyphenyl ester,
(3-hydroxyphenyl) N-ethylcarbamate,
AC1L4E0N,
SCHEMBL5702146,
DTXSID80148570,
ZINC5852573,
AKOS033919022,
Z2461263272,
CID183988,
|
| 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 | 3 |
| 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 | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number