| CAS Number | 1341397-27-0 |
| Catalog Number | AG01A49F |
| Chemical Name | Methyl (4-(hydroxymethyl)phenyl)carbamate |
| IUPAC Name | methyl N-[4-(hydroxymethyl)phenyl]carbamate |
| InChI | InChI=1S/C9H11NO3/c1-13-9(12)10-8-4-2-7(6-11)3-5-8/h2-5,11H,6H2,1H3,(H,10,12) |
| InChI Key | UHCHIYYHZLRBBK-UHFFFAOYSA-N |
| MDL Number | MFCD20414134 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | O=C(OC)NC1=CC=C(CO)C=C1 |
| Synonyms | methyl N-[4-(hydroxymethyl)phenyl]carbamate,
1341397-27-0,
ZINC82878916,
AKOS014122714,
NE22002,
|
| Complexity | 164 |
| 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 |
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Certificate of Analysis
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