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Home > Boronic Acids > 1072952-49-8
1072952-49-8 | (4,5-Dimethoxy-2-(methoxycarbonyl)phenyl)boronic acid
CAS No: 1072952-49-8 Catalog No: AG007WI5 MDL No:MFCD07781232
Product Description
Catalog Number:
AG007WI5
Chemical Name:
(4,5-Dimethoxy-2-(methoxycarbonyl)phenyl)boronic acid
CAS Number:
1072952-49-8
Molecular Formula:
C10H13BO6
Molecular Weight:
240.0176
MDL Number:
MFCD07781232
IUPAC Name:
(4,5-dimethoxy-2-methoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C10H13BO6/c1-15-8-4-6(10(12)17-3)7(11(13)14)5-9(8)16-2/h4-5,13-14H,1-3H3
InChI Key:
CELMPXWFMDIKQI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OC)c(cc1B(O)O)OC
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.081g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.018g/mol
Monoisotopic Mass:
240.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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