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Home > Boronic Acids > 279261-89-1
279261-89-1 | (3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)boronic acid
CAS No: 279261-89-1 Catalog No: AG0038U2 MDL No:MFCD02681910
Product Description
Catalog Number:
AG0038U2
Chemical Name:
(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)boronic acid
CAS Number:
279261-89-1
Molecular Formula:
C9H11BO4
Molecular Weight:
193.9922
MDL Number:
MFCD02681910
IUPAC Name:
3,4-dihydro-2H-1,5-benzodioxepin-7-ylboronic acid
InChI:
InChI=1S/C9H11BO4/c11-10(12)7-2-3-8-9(6-7)14-5-1-4-13-8/h2-3,6,11-12H,1,4-5H2
InChI Key:
CSNCBPVLUIFJOS-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)OCCCO2)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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