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Home > Boronic Acids > 499769-88-9
499769-88-9 | 2,3-DIHYDRO-1,4-BENZODIOXIN-5-YLBORONIC ACID
CAS No: 499769-88-9 Catalog No: AG00DAE9 MDL No:MFCD03095151
Product Description
Catalog Number:
AG00DAE9
Chemical Name:
2,3-DIHYDRO-1,4-BENZODIOXIN-5-YLBORONIC ACID
CAS Number:
499769-88-9
Molecular Formula:
C8H9BO4
Molecular Weight:
179.9657
MDL Number:
MFCD03095151
IUPAC Name:
2,3-dihydro-1,4-benzodioxin-5-ylboronic acid
InChI:
InChI=1S/C8H9BO4/c10-9(11)6-2-1-3-7-8(6)13-5-4-12-7/h1-3,10-11H,4-5H2
InChI Key:
MCWPMXPNJVZOTP-UHFFFAOYSA-N
SMILES:
OB(c1cccc2c1OCCO2)O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.966g/mol
Monoisotopic Mass:
180.059g/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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