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Home > Boronic Acids > 342002-80-6
342002-80-6 | 3-(ISOPROPOXYCARBONYL)PHENYLBORONIC ACID
CAS No: 342002-80-6 Catalog No: AG00BYF8 MDL No:MFCD02093047
Product Description
Catalog Number:
AG00BYF8
Chemical Name:
3-(ISOPROPOXYCARBONYL)PHENYLBORONIC ACID
CAS Number:
342002-80-6
Molecular Formula:
C10H13BO4
Molecular Weight:
208.0188
MDL Number:
MFCD02093047
IUPAC Name:
(3-propan-2-yloxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C10H13BO4/c1-7(2)15-10(12)8-4-3-5-9(6-8)11(13)14/h3-7,13-14H,1-2H3
InChI Key:
HXVODQWMURGQMP-UHFFFAOYSA-N
SMILES:
CC(OC(=O)c1cccc(c1)B(O)O)C
EC Number:
608-956-6
Properties
Complexity:
218
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:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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