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Home > Boronic Acids > 827300-04-9
827300-04-9 | (3-(Butoxycarbonyl);phenyl);boronic acid
CAS No: 827300-04-9 Catalog No: AG0059TB MDL No:MFCD02179446
Product Description
Catalog Number:
AG0059TB
Chemical Name:
(3-(Butoxycarbonyl);phenyl);boronic acid
CAS Number:
827300-04-9
Molecular Formula:
C11H15BO4
Molecular Weight:
222.0454
MDL Number:
MFCD02179446
IUPAC Name:
(3-butoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C11H15BO4/c1-2-3-7-16-11(13)9-5-4-6-10(8-9)12(14)15/h4-6,8,14-15H,2-3,7H2,1H3
InChI Key:
GXRBUIKBJAGBSJ-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)c1cccc(c1)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:
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:
6
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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