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Home > Boronic Acids > 177735-55-6
177735-55-6 | 1,3-Benzenedicarboxylic acid, 5-borono-, 1,3-dimethyl ester
CAS No: 177735-55-6 Catalog No: AG0025I1 MDL No:MFCD11053854
Product Description
Catalog Number:
AG0025I1
Chemical Name:
1,3-Benzenedicarboxylic acid, 5-borono-, 1,3-dimethyl ester
CAS Number:
177735-55-6
Molecular Formula:
C10H11BO6
Molecular Weight:
238.0017
MDL Number:
MFCD11053854
IUPAC Name:
[3,5-bis(methoxycarbonyl)phenyl]boronic acid
InChI:
InChI=1S/C10H11BO6/c1-16-9(12)6-3-7(10(13)17-2)5-8(4-6)11(14)15/h3-5,14-15H,1-2H3
InChI Key:
WEJWFDLAZSVCJK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)C(=O)OC)B(O)O
Properties
Complexity:
269
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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