| CAS Number | 1342997-75-4 |
| Catalog Number | AG01DTSA(AGN-PC-0FT4AA) |
| Chemical Name | 2-Methylpropyl N-[4-(hydroxymethyl)phenyl]carbamate |
| IUPAC Name | 2-methylpropyl N-[4-(hydroxymethyl)phenyl]carbamate |
| InChI | InChI=1S/C12H17NO3/c1-9(2)8-16-12(15)13-11-5-3-10(7-14)4-6-11/h3-6,9,14H,7-8H2,1-2H3,(H,13,15) |
| InChI Key | UYTGOCPSRSQSSQ-UHFFFAOYSA-N |
| MDL Number | MFCD20414129 |
| Molecular Formula | C12H17NO3 |
| Molecular Weight | 223.2683 |
| SMILES | OCC1=CC=C(C=C1)NC(OCC(C)C)=O |
| Synonyms | Isobutyl (4-(hydroxymethyl)phenyl)carbamate,
1342997-75-4,
AKOS014121359,
CS-W020504,
AS-48700,
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| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.272g/mol |
| Monoisotopic Mass | 223.121g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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