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117958-24-4

117958-24-4 | Benzoic acid,3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)-

CAS No: 117958-24-4 Catalog No: AG00HEBX MDL No:

Product Description

Catalog Number:
AG00HEBX
Chemical Name:
Benzoic acid,3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)-
CAS Number:
117958-24-4
IUPAC Name:
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoic acid
InChI:
InChI=1S/C16H13NO4/c18-14-12-8-4-5-9(6-8)13(12)15(19)17(14)11-3-1-2-10(7-11)16(20)21/h1-5,7-9,12-13H,6H2,(H,20,21)
InChI Key:
UOROWQIYVUQGLN-UHFFFAOYSA-N

Properties

Complexity:
525  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.084g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.283g/mol
Monoisotopic Mass:
283.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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