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Home > Other Heterocycles > 1346753-05-6
1346753-05-6 | 2-(9-Oxoxanthen-2-yl)propionic Acid 1,8-Diazabicyclo[5.4.0]undec-7-ene Salt
CAS No: 1346753-05-6 Catalog No: AG00IMJC MDL No:
Product Description
Catalog Number:
AG00IMJC
Chemical Name:
2-(9-Oxoxanthen-2-yl)propionic Acid 1,8-Diazabicyclo[5.4.0]undec-7-ene Salt
CAS Number:
1346753-05-6
IUPAC Name:
2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;2-(9-oxoxanthen-2-yl)propanoic acid
InChI:
InChI=1S/C16H12O4.C9H16N2/c1-9(16(18)19)10-6-7-14-12(8-10)15(17)11-4-2-3-5-13(11)20-14;1-2-5-9-10-6-4-8-11(9)7-3-1/h2-9H,1H3,(H,18,19);1-8H2
InChI Key:
ZLFMLTKPDRGWFB-UHFFFAOYSA-N
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.205g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
420.509g/mol
Monoisotopic Mass:
420.205g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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