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126747-13-5 | Benzoic acid, 4-(1,3,2-dioxaborinan-2-yl)-
CAS No: 126747-13-5 Catalog No: AG000T6F MDL No:MFCD06203595
Product Description
Catalog Number:
AG000T6F
Chemical Name:
Benzoic acid, 4-(1,3,2-dioxaborinan-2-yl)-
CAS Number:
126747-13-5
Molecular Formula:
C10H11BO4
Molecular Weight:
206.0029
MDL Number:
MFCD06203595
IUPAC Name:
4-(1,3,2-dioxaborinan-2-yl)benzoic acid
InChI:
InChI=1S/C10H11BO4/c12-10(13)8-2-4-9(5-3-8)11-14-6-1-7-15-11/h2-5H,1,6-7H2,(H,12,13)
InChI Key:
YYTULIYDVGLPGK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)B1OCCCO1
Properties
Complexity:
220
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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