| CAS Number | 380225-70-7 |
| Catalog Number | AG01B7PF(AGN-PC-0RF5X6) |
| Chemical Name | tert-butyl N-[2-(1-hydroxyethyl)-3-methoxyphenyl]carbamate |
| IUPAC Name | tert-butyl N-[2-(1-hydroxyethyl)-3-methoxyphenyl]carbamate |
| InChI | InChI=1S/C14H21NO4/c1-9(16)12-10(7-6-8-11(12)18-5)15-13(17)19-14(2,3)4/h6-9,16H,1-5H3,(H,15,17) |
| InChI Key | DXJQWCAYCRAIQP-UHFFFAOYSA-N |
| MDL Number | MFCD24475040 |
| Molecular Formula | C14H21NO4 |
| Molecular Weight | 267.3208 |
| SMILES | COC1=C(C(O)C)C(NC(OC(C)(C)C)=O)=CC=C1 |
| Synonyms | 380225-70-7,
tert-butyl N-[2-(1-hydroxyethyl)-3-methoxyphenyl]carbamate,
CID11032838,
tert-Butyl 2-(1-hydroxyethyl)-3-methoxyphenylcarbamate,
Tert-butyl N-[2-(1-hydroxyethyl)-3-methoxy-phenyl]carbamate,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.325g/mol |
| Monoisotopic Mass | 267.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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