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Home > Boronic Acids > 1217501-08-0
1217501-08-0 | Cyclopropanecarboxylic acid, 1-(4-boronophenyl)-, 1-methyl ester
CAS No: 1217501-08-0 Catalog No: AG0015RG MDL No:MFCD12546570
Product Description
Catalog Number:
AG0015RG
Chemical Name:
Cyclopropanecarboxylic acid, 1-(4-boronophenyl)-, 1-methyl ester
CAS Number:
1217501-08-0
Molecular Formula:
C11H13BO4
Molecular Weight:
220.0295
MDL Number:
MFCD12546570
IUPAC Name:
[4-(1-methoxycarbonylcyclopropyl)phenyl]boronic acid
InChI:
InChI=1S/C11H13BO4/c1-16-10(13)11(6-7-11)8-2-4-9(5-3-8)12(14)15/h2-5,14-15H,6-7H2,1H3
InChI Key:
HVUPAWWRAWWJMH-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CC1)c1ccc(cc1)B(O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.031g/mol
Monoisotopic Mass:
220.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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