| CAS Number | 914389-34-7 |
| Catalog Number | AG00IGP1(AGN-PC-0WCL26) |
| Chemical Name | Benzyl 1-oxo-2,5-diazaspiro-[3.4]octane-5-carboxylate |
| IUPAC Name | benzyl 3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate |
| InChI | InChI=1S/C14H16N2O3/c17-12-14(10-15-12)7-4-8-16(14)13(18)19-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,15,17) |
| InChI Key | ZNBUBJKKAJDWOO-UHFFFAOYSA-N |
| MDL Number | MFCD12198811 |
| Molecular Formula | C14H16N2O3 |
| Molecular Weight | 260.2884 |
| SMILES | O=C1NCC12N(CCC2)C(=O)OCC2=CC=CC=C2 |
| Synonyms | 914389-34-7,
BENZYL 1-OXO-2,5-DIAZASPIRO[3.4]OCTANE-5-CARBOXYLATE,
Benzyl 1-oxo-2,5-diazaspiro-[3.4]octane-5-carboxylate,
SCHEMBL7932045,
ZNBUBJKKAJDWOO-UHFFFAOYSA-N,
PB28419,
AM805412,
CS-0000679,
2,5-Diazaspiro[3.4]octane-5-carboxylic acid,1-oxo-,phenylmethyl ester,
benzyl2,5-diazaspiro[3.4]octane-5-carboxylate,
2,5-DIAZASPIRO[3.4]OCTANE-5-CARBOXYLIC ACID, 1-OXO-, PHENYLMETHYL ESTER,
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| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.116092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.29g/mol |
| Monoisotopic Mass | 260.116092g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.6Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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