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Home > Boronic Acids > 1107596-00-8
1107596-00-8 | 3-(1,3,2-dioxaborolan-2-yl)benzoic acid
CAS No: 1107596-00-8 Catalog No: AG0096V0 MDL No:
Product Description
Catalog Number:
AG0096V0
Chemical Name:
3-(1,3,2-dioxaborolan-2-yl)benzoic acid
CAS Number:
1107596-00-8
Molecular Formula:
C10H11BO4
Molecular Weight:
206.0029
IUPAC Name:
3-(1,3,2-dioxaborinan-2-yl)benzoic acid
InChI:
InChI=1S/C10H11BO4/c12-10(13)8-3-1-4-9(7-8)11-14-5-2-6-15-11/h1,3-4,7H,2,5-6H2,(H,12,13)
InChI Key:
VBPHVROQWZGKMS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)B1OCCCO1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.004g/mol
Monoisotopic Mass:
206.075g/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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