| CAS Number | 807334-25-4 |
| Catalog Number | AG00392S(AGN-PC-0UHFQ3) |
| Chemical Name | 2-hydroxy-2-phenylethyl carbamate |
| IUPAC Name | [(2S)-2-hydroxy-2-phenylethyl] carbamate |
| InChI | InChI=1S/C9H11NO3/c10-9(12)13-6-8(11)7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H2,10,12)/t8-/m1/s1 |
| InChI Key | OCSOHUROTFFTFO-MRVPVSSYSA-N |
| MDL Number | MFCD30491871 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | OC(C1=CC=CC=C1)COC(N)=O |
| Synonyms | (S)-2-hydroxy-2-phenylethyl carbamate,
807334-25-4,
ZINC725,
SCHEMBL13879238,
AKOS028113243,
1,2-Ethanediol, 1-phenyl-, 2-carbamate, (1S)-,
UNII-CBK7Y28SP3 component OCSOHUROTFFTFO-MRVPVSSYSA-N,
1,2-Ethanediol,1-phenyl-,2-carbamate,(1S)-,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 4 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number