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Home > Aldehydes > 189345-99-1
189345-99-1 | 2H-1,4-Benzoxazine-7-carboxaldehyde, 3,4-dihydro-4-methyl-3-oxo-
CAS No: 189345-99-1 Catalog No: AG002IBR MDL No:MFCD24682576
Product Description
Catalog Number:
AG002IBR
Chemical Name:
2H-1,4-Benzoxazine-7-carboxaldehyde, 3,4-dihydro-4-methyl-3-oxo-
CAS Number:
189345-99-1
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD24682576
IUPAC Name:
4-methyl-3-oxo-1,4-benzoxazine-7-carbaldehyde
InChI:
InChI=1S/C10H9NO3/c1-11-8-3-2-7(5-12)4-9(8)14-6-10(11)13/h2-5H,6H2,1H3
InChI Key:
FLRZEBSCHOYUKE-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)OCC(=O)N2C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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