| CAS Number | 1218790-81-8 |
| Catalog Number | AG0016AC(AGN-PC-07XUM1) |
| Chemical Name | 3-(3-(Ethoxycarbonyl)piperidine-1-carbonyl)phenylboronic acid |
| IUPAC Name | [3-(3-ethoxycarbonylpiperidine-1-carbonyl)phenyl]boronic acid |
| InChI | InChI=1S/C15H20BNO5/c1-2-22-15(19)12-6-4-8-17(10-12)14(18)11-5-3-7-13(9-11)16(20)21/h3,5,7,9,12,20-21H,2,4,6,8,10H2,1H3 |
| InChI Key | ADLXIBSCIGGNHP-UHFFFAOYSA-N |
| MDL Number | MFCD12756423 |
| Molecular Formula | C15H20BNO5 |
| Molecular Weight | 305.1340 |
| SMILES | C(C)OC(=O)C1CN(CCC1)C(=O)C=1C=C(C=CC1)B(O)O |
| Synonyms | 1218790-81-8,
3-(3-(ETHOXYCARBONYL)PIPERIDINE-1-CARBONYL)PHENYLBORONIC ACID,
(3-(3-(Ethoxycarbonyl)piperidine-1-carbonyl)phenyl)boronic acid,
{3-[3-(Ethoxycarbonyl)piperidine-1-carbonyl]phenyl}boronic acid,
ACMC-209aij,
SCHEMBL2554801,
CTK4B2851,
DTXSID10675369,
ANW-17897,
MFCD12756423,
AKOS015838731,
TR-034844,
Z8557,
A-5669,
I04-2112,
3-Piperidinecarboxylic acid, 1-(3-boronobenzoyl)-, 3-ethyl ester,
C15H20BNO5,
ADLXIBSCIGGNHP-UHFFFAOYSA-N,
(3-(3-(Ethoxycarbonyl)piperidine-1-carbonyl)phenyl)boronicacid,
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| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.137g/mol |
| Monoisotopic Mass | 305.143g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 87.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number