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Home > Boronic Acids > 1107064-09-4
1107064-09-4 | (3,4-dihydro-2H-1,5-benzodioxepin-6-yl)boronic acid
CAS No: 1107064-09-4 Catalog No: AG01C5KU MDL No:MFCD06801681
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
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