| CAS Number | 1379811-81-0 |
| Catalog Number | AG0017RK(AGN-PC-0WCJB0) |
| Chemical Name | 3-Oxetanecarboxylic acid, 3-[[(phenylmethoxy)carbonyl]amino]- |
| IUPAC Name | 3-(phenylmethoxycarbonylamino)oxetane-3-carboxylic acid |
| InChI | InChI=1S/C12H13NO5/c14-10(15)12(7-17-8-12)13-11(16)18-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,16)(H,14,15) |
| InChI Key | SDACJLQSZZYSTE-UHFFFAOYSA-N |
| MDL Number | MFCD22370045 |
| Molecular Formula | C12H13NO5 |
| Molecular Weight | 251.2353 |
| SMILES | O=C(C1(NC(OCC2=CC=CC=C2)=O)COC1)O |
| Synonyms | 1379811-81-0,
3-(((benzyloxy)carbonyl)amino)oxetane-3-carboxylic acid,
3-{[(Benzyloxy)carbonyl]amino}-3-oxetanecarboxylic acid,
3-{[(benzyloxy)carbonyl]amino}oxetane-3-carboxylic acid,
3-(((Benzyloxy)carbonyl)amino)oxetane-3-carboxylicacid,
CTK8E4134,
MFCD22370045,
ZINC83428627,
AKOS016015858,
SB11130,
KS-0000049T,
AS-38441,
AB0198303,
ST1020104,
TX-015542,
CS-0051561,
3-Oxetanecarboxylic acid, 3-[[(phenylmethoxy)carbonyl]amino]-,
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| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.238g/mol |
| Monoisotopic Mass | 251.079g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number