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Home > Boronic Acids > 1256345-91-1
1256345-91-1 | Benzoic acid, 2-borono-4,5-dimethoxy-
CAS No: 1256345-91-1 Catalog No: AG000O0O MDL No:MFCD17015736
Product Description
Catalog Number:
AG000O0O
Chemical Name:
Benzoic acid, 2-borono-4,5-dimethoxy-
CAS Number:
1256345-91-1
Molecular Formula:
C9H11BO6
Molecular Weight:
225.9910
MDL Number:
MFCD17015736
IUPAC Name:
2-borono-4,5-dimethoxybenzoic acid
InChI:
InChI=1S/C9H11BO6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4,13-14H,1-2H3,(H,11,12)
InChI Key:
WDKCKAPUQPJHJV-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)O)c(cc1OC)B(O)O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.065g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
225.991g/mol
Monoisotopic Mass:
226.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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