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Home > Other Heterocycles > 1346753-04-5
1346753-04-5 | 2-(9-Oxoxanthen-2-yl)propionic Acid 1,5-Diazabicyclo[4.3.0]non-5-ene Salt
CAS No: 1346753-04-5 Catalog No: AG00IMJB MDL No:
Product Description
Catalog Number:
AG00IMJB
Chemical Name:
2-(9-Oxoxanthen-2-yl)propionic Acid 1,5-Diazabicyclo[4.3.0]non-5-ene Salt
CAS Number:
1346753-04-5
IUPAC Name:
2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;2-(9-oxoxanthen-2-yl)propanoic acid
InChI:
InChI=1S/C16H12O4.C7H12N2/c1-9(16(18)19)10-6-7-14-12(8-10)15(17)11-4-2-3-5-13(11)20-14;1-3-7-8-4-2-6-9(7)5-1/h2-9H,1H3,(H,18,19);1-6H2
InChI Key:
OQEMAQQKYSJWQK-UHFFFAOYSA-N
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.174g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
392.455g/mol
Monoisotopic Mass:
392.174g/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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