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Home > Boronic Acids > 1171891-27-2
1171891-27-2 | 5-(3-Acetamidopropanamido)pyridine-3-boronic acid pinacol ester
CAS No: 1171891-27-2 Catalog No: AG00HDUC MDL No:MFCD13190767
Product Description
Catalog Number:
AG00HDUC
Chemical Name:
5-(3-Acetamidopropanamido)pyridine-3-boronic acid pinacol ester
CAS Number:
1171891-27-2
Molecular Formula:
C16H24BN3O4
Molecular Weight:
333.1905
MDL Number:
MFCD13190767
IUPAC Name:
3-acetamido-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]propanamide
InChI:
InChI=1S/C16H24BN3O4/c1-11(21)19-7-6-14(22)20-13-8-12(9-18-10-13)17-23-15(2,3)16(4,5)24-17/h8-10H,6-7H2,1-5H3,(H,19,21)(H,20,22)
InChI Key:
ZWFXJPQTOCIPME-UHFFFAOYSA-N
SMILES:
O=C(Nc1cncc(c1)B1OC(C(O1)(C)C)(C)C)CCNC(=O)C
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.186g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.195g/mol
Monoisotopic Mass:
333.186g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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