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Home > Boronic Acids > 885068-00-8
885068-00-8 | 2-(3-Boronophenyl);-2-methylpropanoic acid
CAS No: 885068-00-8 Catalog No: AG008A82 MDL No:MFCD16652406
Product Description
Catalog Number:
AG008A82
Chemical Name:
2-(3-Boronophenyl);-2-methylpropanoic acid
CAS Number:
885068-00-8
Molecular Formula:
C10H13BO4
Molecular Weight:
208.0188
MDL Number:
MFCD16652406
IUPAC Name:
2-(3-boronophenyl)-2-methylpropanoic acid
InChI:
InChI=1S/C10H13BO4/c1-10(2,9(12)13)7-4-3-5-8(6-7)11(14)15/h3-6,14-15H,1-2H3,(H,12,13)
InChI Key:
VASYXSHADMRQTM-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1cccc(c1)B(O)O)(C)C
EC Number:
618-175-2
Properties
Complexity:
240
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:
3
Isotope Atom Count:
0
Molecular Weight:
208.02g/mol
Monoisotopic Mass:
208.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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