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Home > Boronic Acids > 499769-86-7
499769-86-7 | (4-Methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-7-yl);boronic acid
CAS No: 499769-86-7 Catalog No: AG006X38 MDL No:MFCD05664669
Product Description
Catalog Number:
AG006X38
Chemical Name:
(4-Methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-7-yl);boronic acid
CAS Number:
499769-86-7
Molecular Formula:
C9H12BNO3
Molecular Weight:
193.0075
MDL Number:
MFCD05664669
IUPAC Name:
(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)boronic acid
InChI:
InChI=1S/C9H12BNO3/c1-11-4-5-14-9-6-7(10(12)13)2-3-8(9)11/h2-3,6,12-13H,4-5H2,1H3
InChI Key:
WTHSXWMILQRPIN-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)OCCN2C)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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