| CAS Number | 790704-73-3 |
| Catalog Number | AG00GIOH(AGN-PC-0OI72S) |
| Chemical Name | 5-Cbz-1-oxa-5-azaspiro[2.4]heptane |
| IUPAC Name | benzyl 1-oxa-6-azaspiro[2.4]heptane-6-carboxylate |
| InChI | InChI=1S/C13H15NO3/c15-12(14-7-6-13(9-14)10-17-13)16-8-11-4-2-1-3-5-11/h1-5H,6-10H2 |
| InChI Key | VCBLXRNFGAAMHH-UHFFFAOYSA-N |
| MDL Number | MFCD23105851 |
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.2631 |
| SMILES | O=C(N(CC1)CC21CO2)OCC3=CC=CC=C3 |
| Synonyms | 790704-73-3,
benzyl 1-oxa-5-azaspiro[2.4]heptane-5-carboxylate,
5-Cbz-1-oxa-5-azaspiro[2.4]heptane,
1-Oxa-5-aza-spiro[2.4]heptane-5-carboxylic acid benzyl ester,
SCHEMBL541558,
VCBLXRNFGAAMHH-UHFFFAOYSA-N,
MFCD23105851,
AKOS025290201,
FCH3050800,
PB37158,
SB20354,
KS-0000077Z,
AK172353,
AM101287,
AS-34560,
CS-0049871,
Q-2476,
Benzyl 2-oxa-6-azaspiro[2.4]heptane-6-carboxylate,
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| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.267g/mol |
| Monoisotopic Mass | 233.105g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number