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Home > Boronic Acids > 342002-82-8
342002-82-8 | 4-ISOPROPOXYCARBONYLPHENYLBORONIC ACID
CAS No: 342002-82-8 Catalog No: AG00BXIV MDL No:MFCD02259385
Product Description
Catalog Number:
AG00BXIV
Chemical Name:
4-ISOPROPOXYCARBONYLPHENYLBORONIC ACID
CAS Number:
342002-82-8
Molecular Formula:
C10H13BO4
Molecular Weight:
208.0188
MDL Number:
MFCD02259385
IUPAC Name:
(4-propan-2-yloxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C10H13BO4/c1-7(2)15-10(12)8-3-5-9(6-4-8)11(13)14/h3-7,13-14H,1-2H3
InChI Key:
NIQHFKWRHJZMQU-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)OC(C)C)O
Properties
Complexity:
210
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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