| CAS Number | 955948-12-6 |
| Catalog Number | AG01A0XE |
| Chemical Name | phenyl N-(4-hydroxyphenyl)-N-methylcarbamate |
| IUPAC Name | phenyl N-(4-hydroxyphenyl)-N-methylcarbamate |
| InChI | InChI=1S/C14H13NO3/c1-15(11-7-9-12(16)10-8-11)14(17)18-13-5-3-2-4-6-13/h2-10,16H,1H3 |
| InChI Key | YJSSOXDICOVVHW-UHFFFAOYSA-N |
| MDL Number | MFCD00586121 |
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.2579 |
| SMILES | CN(C1=CC=C(O)C=C1)C(OC1=CC=CC=C1)=O |
| Synonyms | phenyl N-(4-hydroxyphenyl)-N-methylcarbamate,
955948-12-6,
ZINC20212739,
AKOS005874637,
MCULE-2963261538,
NE54650,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.262g/mol |
| Monoisotopic Mass | 243.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number