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Home > Boronic Acids > 1256354-98-9
1256354-98-9 | 1,3-Benzenedicarboxylic acid, 4-borono-, 1,3-dimethyl ester
CAS No: 1256354-98-9 Catalog No: AG000O2W MDL No:MFCD17015764
Product Description
Catalog Number:
AG000O2W
Chemical Name:
1,3-Benzenedicarboxylic acid, 4-borono-, 1,3-dimethyl ester
CAS Number:
1256354-98-9
Molecular Formula:
C10H11BO6
Molecular Weight:
238.0017
MDL Number:
MFCD17015764
IUPAC Name:
[2,4-bis(methoxycarbonyl)phenyl]boronic acid
InChI:
InChI=1S/C10H11BO6/c1-16-9(12)6-3-4-8(11(14)15)7(5-6)10(13)17-2/h3-5,14-15H,1-2H3
InChI Key:
BUXKKSVFGRKVGD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C(=O)OC)B(O)O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.065g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.002g/mol
Monoisotopic Mass:
238.065g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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