| CAS Number | 1704073-94-8 |
| Catalog Number | AG00ARCM(AGN-PC-0WCS7N) |
| Chemical Name | (4-(1,4-Dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl)boronic acid |
| IUPAC Name | [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]boronic acid |
| InChI | InChI=1S/C14H20BNO4/c17-15(18)13-3-1-12(2-4-13)11-16-7-5-14(6-8-16)19-9-10-20-14/h1-4,17-18H,5-11H2 |
| InChI Key | JKIZTNBKBGWIAF-UHFFFAOYSA-N |
| MDL Number | MFCD28400351 |
| Molecular Formula | C14H20BNO4 |
| Molecular Weight | 277.1239 |
| SMILES | OB(O)c1ccc(CN2CCC3(CC2)OCCO3)cc1 |
| Synonyms | (4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl)boronic acid,
1704073-94-8,
MFCD28400351,
ZINC230545402,
AM88212,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.149g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.127g/mol |
| Monoisotopic Mass | 277.149g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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