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Home > Boronic Acids > 1251537-33-3
1251537-33-3 | 1(2H)-Pyridinecarboxylic acid, 4-borono-3,6-dihydro-, 1-(phenylmethyl) ester
CAS No: 1251537-33-3 Catalog No: AG000N93 MDL No:MFCD10696318
Product Description
Catalog Number:
AG000N93
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 4-borono-3,6-dihydro-, 1-(phenylmethyl) ester
CAS Number:
1251537-33-3
Molecular Formula:
C13H16BNO4
Molecular Weight:
261.0814
MDL Number:
MFCD10696318
IUPAC Name:
(1-phenylmethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)boronic acid
InChI:
InChI=1S/C13H16BNO4/c16-13(19-10-11-4-2-1-3-5-11)15-8-6-12(7-9-15)14(17)18/h1-6,17-18H,7-10H2
InChI Key:
KIZUQTMEQJKQHH-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(=CC1)B(O)O)OCc1ccccc1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.117g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.084g/mol
Monoisotopic Mass:
261.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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