| CAS Number | 1042622-10-5 |
| Catalog Number | AG019UWE |
| Chemical Name | 1-(4-Hydroxyphenyl)-1-methyl-3-(propan-2-yl)urea |
| IUPAC Name | 1-(4-hydroxyphenyl)-1-methyl-3-propan-2-ylurea |
| InChI | InChI=1S/C11H16N2O2/c1-8(2)12-11(15)13(3)9-4-6-10(14)7-5-9/h4-8,14H,1-3H3,(H,12,15) |
| InChI Key | ABAIDGGCLDVQPJ-UHFFFAOYSA-N |
| MDL Number | MFCD11167763 |
| Molecular Formula | C11H16N2O2 |
| Molecular Weight | 208.2569 |
| SMILES | CC(NC(N(C1=CC=C(O)C=C1)C)=O)C |
| Synonyms | 1-(4-hydroxyphenyl)-1-methyl-3-(propan-2-yl)urea,
1042622-10-5,
1-(4-hydroxyphenyl)-1-methyl-3-propan-2-ylurea,
AC1Q1Q7I,
CTK6B0036,
ZINC20212731,
AKOS009222831,
MCULE-2345389962,
NE23096,
EN300-43026,
AB00999672-01,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.261g/mol |
| Monoisotopic Mass | 208.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number