| CAS Number | 1251002-28-4 |
| Catalog Number | AG00HHZD(AGN-PC-0WCKWN) |
| Chemical Name | 5-OXA-2-AZA-SPIRO[3.5]NONANE-2,6-DICARBOXYLIC ACID 2-TERT-BUTYL ESTER |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-2-azaspiro[3.5]nonane-6-carboxylic acid |
| InChI | InChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-7-13(8-14)6-4-5-9(18-13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16) |
| InChI Key | HAZMWIGLQWNJPR-UHFFFAOYSA-N |
| MDL Number | MFCD14581239 |
| Molecular Formula | C13H21NO5 |
| Molecular Weight | 271.3095 |
| SMILES | CC(OC(N1CC2(OC(C(O)=O)CCC2)C1)=O)(C)C |
| Synonyms | 1251002-28-4,
2-Boc-5-oxa-2-aza-spiro-[3.5]nonane-6-carboxylic acid,
2-[(tert-Butoxy)carbonyl]-5-oxa-2-azaspiro[3.5]nonane-6-carboxylic acid,
5-OXA-2-AZA-SPIRO[3.5]NONANE-2,6-DICARBOXYLIC ACID 2-TERT-BUTYL ESTER,
MFCD14581239,
PB39074,
SB20617,
AM805280,
CS-0057530,
Q-4181,
2-Boc-5-oxa-2-aza-spiro[3.5]nonane-6-carboxylic acid,
5-Oxa-2-aza-spiro[3.5]nonane-2,6-dicarboxylicacid2-tert-butylester,
5-Oxa-2-aza-spiro[3.5]nonane-2,6-dicarboxylic acid 2-t-butyl ester,
Indacaterol maleate,
753498-25-8,
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| Complexity | 381 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.313g/mol |
| Monoisotopic Mass | 271.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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