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Home > Boronic Acids > 276694-12-3
276694-12-3 | Benzoic acid, 4-(1,3,2-dioxaborolan-2-yl)-
CAS No: 276694-12-3 Catalog No: AG002UCX MDL No:
Product Description
Catalog Number:
AG002UCX
Chemical Name:
Benzoic acid, 4-(1,3,2-dioxaborolan-2-yl)-
CAS Number:
276694-12-3
Molecular Formula:
C9H9BO4
Molecular Weight:
191.9764
IUPAC Name:
4-(1,3,2-dioxaborolan-2-yl)benzoic acid
InChI:
InChI=1S/C9H9BO4/c11-9(12)7-1-3-8(4-2-7)10-13-5-6-14-10/h1-4H,5-6H2,(H,11,12)
InChI Key:
JDTTYLXWQXZQPQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)B1OCCO1
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.977g/mol
Monoisotopic Mass:
192.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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