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Home > Boronic Acids > 694489-60-6
694489-60-6 | 1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID, 1-(3-BORONOPHENYL)-1,4-DIHYDRO-4-OXO-, 3-ETHYL ESTER
CAS No: 694489-60-6 Catalog No: AG00G21C MDL No:
Product Description
Catalog Number:
AG00G21C
Chemical Name:
1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID, 1-(3-BORONOPHENYL)-1,4-DIHYDRO-4-OXO-, 3-ETHYL ESTER
CAS Number:
694489-60-6
IUPAC Name:
[3-(3-ethoxycarbonyl-4-oxo-1,8-naphthyridin-1-yl)phenyl]boronic acid
InChI:
InChI=1S/C17H15BN2O5/c1-2-25-17(22)14-10-20(12-6-3-5-11(9-12)18(23)24)16-13(15(14)21)7-4-8-19-16/h3-10,23-24H,2H2,1H3
InChI Key:
YMVFANMSFGZNRT-UHFFFAOYSA-N
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.107g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.126g/mol
Monoisotopic Mass:
338.107g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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