Home Carboxys 4-benzyl-3,5-dioxo-4-azatetracyclo[5.3.2.0^{2,6}.0^{8,10}]dodec-11-ene-9-carboxylic acid

4-benzyl-3,5-dioxo-4-azatetracyclo[5.3.2.0^{2,6}.0^{8,10}]dodec-11-ene-9-carboxylic acid

CAS No.:
1803582-42-4
Catalog Number:
AG01B94G
Molecular Formula:
C19H17NO4
Molecular Weight:
323.3426
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Product Description
Catalog Number:
AG01B94G
Chemical Name:
4-benzyl-3,5-dioxo-4-azatetracyclo[5.3.2.0^{2,6}.0^{8,10}]dodec-11-ene-9-carboxylic acid
CAS Number:
1803582-42-4
Molecular Formula:
C19H17NO4
Molecular Weight:
323.3426
MDL Number:
MFCD28714511
IUPAC Name:
4-benzyl-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-9-carboxylic acid
InChI:
InChI=1S/C19H17NO4/c21-17-14-10-6-7-11(13-12(10)16(13)19(23)24)15(14)18(22)20(17)8-9-4-2-1-3-5-9/h1-7,10-16H,8H2,(H,23,24)
InChI Key:
AKDBNKAXVDIPMI-UHFFFAOYSA-N
SMILES:
OC(=O)C1C2C1C1C=CC2C2C1C(=O)N(C2=O)Cc1ccccc1
Properties
Complexity:
612  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.116g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
323.348g/mol
Monoisotopic Mass:
323.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
6  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties