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Home > Aldehydes > 648449-63-2
648449-63-2 | 2H-1,4-Benzoxazine-6-carboxaldehyde, 4-butyl-3,4-dihydro-3-oxo-
CAS No: 648449-63-2 Catalog No: AG006SIQ MDL No:
Product Description
Catalog Number:
AG006SIQ
Chemical Name:
2H-1,4-Benzoxazine-6-carboxaldehyde, 4-butyl-3,4-dihydro-3-oxo-
CAS Number:
648449-63-2
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
4-butyl-3-oxo-1,4-benzoxazine-6-carbaldehyde
InChI:
InChI=1S/C13H15NO3/c1-2-3-6-14-11-7-10(8-15)4-5-12(11)17-9-13(14)16/h4-5,7-8H,2-3,6,9H2,1H3
InChI Key:
JLUZBUSMBBJMPQ-UHFFFAOYSA-N
SMILES:
CCCCN1C(=O)COc2c1cc(C=O)cc2
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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