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304853-90-5 | Boronic acid, B-(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)-
CAS No: 304853-90-5 Catalog No: AG00309Z MDL No:
Product Description
Catalog Number:
AG00309Z
Chemical Name:
Boronic acid, B-(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)-
CAS Number:
304853-90-5
Molecular Formula:
C10H12BNO4
Molecular Weight:
221.0176
IUPAC Name:
(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)boronic acid
InChI:
InChI=1S/C10H12BNO4/c1-10(2)7-5-6(11(14)15)3-4-8(7)12-9(13)16-10/h3-5,14-15H,1-2H3,(H,12,13)
InChI Key:
QHWLPZYUNQBUGQ-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccc(cc2C(O1)(C)C)B(O)O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.086g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
221.019g/mol
Monoisotopic Mass:
221.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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