Home Boronic acids (3,4-dihydro-2H-1,5-benzodioxepin-6-yl)boronic acid

(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)boronic acid

CAS No.:
1107064-09-4
Catalog Number:
AG01C5KU
Molecular Formula:
C9H11BO4
Molecular Weight:
193.9922
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Product Description
Catalog Number:
AG01C5KU
Chemical Name:
(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)boronic acid
CAS Number:
1107064-09-4
Molecular Formula:
C9H11BO4
Molecular Weight:
193.9922
MDL Number:
MFCD06801681
IUPAC Name:
3,4-dihydro-2H-1,5-benzodioxepin-6-ylboronic acid
InChI:
InChI=1S/C9H11BO4/c11-10(12)7-3-1-4-8-9(7)14-6-2-5-13-8/h1,3-4,11-12H,2,5-6H2
InChI Key:
BTDVUENZZYXXFN-UHFFFAOYSA-N
SMILES:
OB(c1cccc2c1OCCCO2)O
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.075g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.993g/mol
Monoisotopic Mass:
194.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties