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1171891-30-7

1171891-30-7 | 5-(3-Hydroxypropanamido)pyridine-3-boronic acid pinacol ester

CAS No: 1171891-30-7 Catalog No: AG00HDUD MDL No:MFCD13190766

Product Description

Catalog Number:
AG00HDUD
Chemical Name:
5-(3-Hydroxypropanamido)pyridine-3-boronic acid pinacol ester
CAS Number:
1171891-30-7
Molecular Formula:
C14H21BN2O4
Molecular Weight:
292.1385
MDL Number:
MFCD13190766
IUPAC Name:
3-hydroxy-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]propanamide
InChI:
InChI=1S/C14H21BN2O4/c1-13(2)14(3,4)21-15(20-13)10-7-11(9-16-8-10)17-12(19)5-6-18/h7-9,18H,5-6H2,1-4H3,(H,17,19)
InChI Key:
ZAVUROLZVODJCS-UHFFFAOYSA-N
SMILES:
OCCC(=O)Nc1cncc(c1)B1OC(C(O1)(C)C)(C)C

Properties

Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.159g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
292.142g/mol
Monoisotopic Mass:
292.159g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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