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1256345-85-3 | Benzoic acid, 2-orono-, 1-(2-methylpropyl) ester
CAS No: 1256345-85-3 Catalog No: AG000O0U MDL No:MFCD16036104
Product Description
Catalog Number:
AG000O0U
Chemical Name:
Benzoic acid, 2-orono-, 1-(2-methylpropyl) ester
CAS Number:
1256345-85-3
Molecular Formula:
C11H15BO4
Molecular Weight:
222.0454
MDL Number:
MFCD16036104
IUPAC Name:
[2-(2-methylpropoxycarbonyl)phenyl]boronic acid
InChI:
InChI=1S/C11H15BO4/c1-8(2)7-16-11(13)9-5-3-4-6-10(9)12(14)15/h3-6,8,14-15H,7H2,1-2H3
InChI Key:
DIKVMNDRMPRPLN-UHFFFAOYSA-N
SMILES:
CC(COC(=O)c1ccccc1B(O)O)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.047g/mol
Monoisotopic Mass:
222.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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