| CAS Number | 117550-36-4 |
| Catalog Number | AG00HDZW(AGN-PC-0A4NSZ) |
| Chemical Name | methyl N-[2-(hydroxymethyl)phenyl]carbamate |
| IUPAC Name | methyl N-[2-(hydroxymethyl)phenyl]carbamate |
| InChI | InChI=1S/C9H11NO3/c1-13-9(12)10-8-5-3-2-4-7(8)6-11/h2-5,11H,6H2,1H3,(H,10,12) |
| InChI Key | QNCPWLXCDKFGEK-UHFFFAOYSA-N |
| MDL Number | MFCD14680132 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | COC(=O)Nc1ccccc1CO |
| Synonyms | Methyl (2-(hydroxymethyl)phenyl)carbamate,
117550-36-4,
SCHEMBL2462870,
QNCPWLXCDKFGEK-UHFFFAOYSA-N,
MFCD14680132,
ZINC49363372,
AKOS010759206,
CS-0038874,
(2-Hydroxymethyl-phenyl)-carbamic acid methyl ester,
Carbamic acid, [2-(hydroxymethyl)phenyl]-, methyl ester,
methyl N-[2-(hydroxymethyl)phenyl]carbamate,
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number