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Home > Boronic Acids > 1218790-81-8
1218790-81-8 | 3-Piperidinecarboxylic acid, 1-(3-boronobenzoyl)-, 3-ethyl ester
CAS No: 1218790-81-8 Catalog No: AG0016AC MDL No:MFCD12756423
Product Description
Catalog Number:
AG0016AC
Chemical Name:
3-Piperidinecarboxylic acid, 1-(3-boronobenzoyl)-, 3-ethyl ester
CAS Number:
1218790-81-8
Molecular Formula:
C15H20BNO5
Molecular Weight:
305.1340
MDL Number:
MFCD12756423
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
SMILES:
CCOC(=O)C1CCCN(C1)C(=O)c1cccc(c1)B(O)O
Properties
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
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