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87699-07-8 | [1,4]Oxazino[4,3-a]quinoline-5,5(6H)-dicarbonitrile, 1,2,4,4a-tetrahydro-
CAS No: 87699-07-8 Catalog No: AG008DTG MDL No:
Product Description
Catalog Number:
AG008DTG
Chemical Name:
[1,4]Oxazino[4,3-a]quinoline-5,5(6H)-dicarbonitrile, 1,2,4,4a-tetrahydro-
CAS Number:
87699-07-8
Molecular Formula:
C14H13N3O
Molecular Weight:
239.2725
IUPAC Name:
2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline-5,5-dicarbonitrile
InChI:
InChI=1S/C14H13N3O/c15-9-14(10-16)7-11-3-1-2-4-12(11)17-5-6-18-8-13(14)17/h1-4,13H,5-8H2
InChI Key:
UXUHBAJNXXFZAY-UHFFFAOYSA-N
SMILES:
N#CC1(C#N)Cc2ccccc2N2C1COCC2
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.278g/mol
Monoisotopic Mass:
239.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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