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298682-50-5 | 2-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
CAS No: 298682-50-5 Catalog No: AG00I5IZ MDL No:
Product Description
Catalog Number:
AG00I5IZ
Chemical Name:
2-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
CAS Number:
298682-50-5
IUPAC Name:
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoic acid
InChI:
InChI=1S/C16H13NO4/c18-14-12-8-5-6-9(7-8)13(12)15(19)17(14)11-4-2-1-3-10(11)16(20)21/h1-6,8-9,12-13H,7H2,(H,20,21)
InChI Key:
HYVCRTFVNMBICJ-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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