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Home > Boronic Acids > 1015242-58-6
1015242-58-6 | Boronic acid, B-(3,4-dihydro-4-methyl-2H-1,4-benzoxazin-6-yl)-
CAS No: 1015242-58-6 Catalog No: AG0004PC MDL No:MFCD20441848
Product Description
Catalog Number:
AG0004PC
Chemical Name:
Boronic acid, B-(3,4-dihydro-4-methyl-2H-1,4-benzoxazin-6-yl)-
CAS Number:
1015242-58-6
Molecular Formula:
C9H12BNO3
Molecular Weight:
193.0075
MDL Number:
MFCD20441848
IUPAC Name:
(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)boronic acid
InChI:
InChI=1S/C9H12BNO3/c1-11-4-5-14-9-3-2-7(10(12)13)6-8(9)11/h2-3,6,12-13H,4-5H2,1H3
InChI Key:
CKKPNGSUPGAEOV-UHFFFAOYSA-N
SMILES:
CN1CCOc2c1cc(cc2)B(O)O
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.091g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.009g/mol
Monoisotopic Mass:
193.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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