| CAS Number | 1015770-72-5 |
| Catalog Number | AG0004UH(AGN-PC-0WCY5M) |
| Chemical Name | 1-Oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid |
| IUPAC Name | 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid |
| InChI | InChI=1S/C9H13NO3/c11-8(12)7-6-9(13-10-7)4-2-1-3-5-9/h1-6H2,(H,11,12) |
| InChI Key | FTWCGHJFEWJCMK-UHFFFAOYSA-N |
| MDL Number | MFCD19382371 |
| Molecular Formula | C9H13NO3 |
| Molecular Weight | 183.2044 |
| SMILES | OC(=O)C1=NOC2(C1)CCCCC2 |
| Synonyms | 1-OXA-2-AZASPIRO[4.5]DEC-2-ENE-3-CARBOXYLIC ACID,
1015770-72-5,
SCHEMBL2307102,
FTWCGHJFEWJCMK-UHFFFAOYSA-N,
MFCD19382371,
ZINC66054943,
AS-36065,
AX8266586,
X-2793,
1-Oxa-2-azaspiro[4,5]dec-2-ene-3-carboxylic acid,
1-Oxa-2-aza-spiro[4.5]dec-2-ene-3-carboxylic acid,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.207g/mol |
| Monoisotopic Mass | 183.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number