| CAS Number | 406951-43-7 |
| Catalog Number | AG01A029(AGN-PC-0NFZTT) |
| Chemical Name | benzyl N-(2-oxocyclobutyl)carbamate |
| IUPAC Name | benzyl N-(2-oxocyclobutyl)carbamate |
| InChI | InChI=1S/C12H13NO3/c14-11-7-6-10(11)13-12(15)16-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15) |
| InChI Key | JQPGQKRCEQTGHP-UHFFFAOYSA-N |
| MDL Number | MFCD22208485 |
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.2365 |
| SMILES | O=C(OCC1=CC=CC=C1)NC1C(=O)CC1 |
| Synonyms | Benzyl N-(2-oxocyclobutyl)carbamate,
406951-43-7,
CHEMBL2064169,
Benzyl (2-oxocyclobutyl)carbamate,
SCHEMBL425375,
JQPGQKRCEQTGHP-UHFFFAOYSA-N,
BDBM50389012,
AKOS026728336,
NE57370,
(2-Oxocyclobutyl)carbamic acid benzyl ester,
(2-oxo-cyclobutyl)-carbamic acid benzyl ester,
(R,S)-2-Oxocyclobutylcarbamic Acid Benzyl Ester,
Carbamicacid,N-(2-oxocyclobutyl)-,phenylmethylester,
Carbamic acid, N-(2-oxocyclobutyl)-, phenylmethyl ester,
CID11106853,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.24g/mol |
| Monoisotopic Mass | 219.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number