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Home > Boronic Acids > 876189-19-4
876189-19-4 | (4-(Methoxycarbonyl);-3,5-dimethylphenyl);boronic acid
CAS No: 876189-19-4 Catalog No: AG004LQF MDL No:MFCD11111428
Product Description
Catalog Number:
AG004LQF
Chemical Name:
(4-(Methoxycarbonyl);-3,5-dimethylphenyl);boronic acid
CAS Number:
876189-19-4
Molecular Formula:
C10H13BO4
Molecular Weight:
208.0188
MDL Number:
MFCD11111428
IUPAC Name:
(4-methoxycarbonyl-3,5-dimethylphenyl)boronic acid
InChI:
InChI=1S/C10H13BO4/c1-6-4-8(11(13)14)5-7(2)9(6)10(12)15-3/h4-5,13-14H,1-3H3
InChI Key:
PZRQLKHCAJPJDQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)cc(cc1C)B(O)O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.02g/mol
Monoisotopic Mass:
208.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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