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135980-46-0 | 2-(1,3-DIOXO-1H,H-BENZO[DE]ISOQUINOLIN-2-YL)-PROPIONIC ACID
CAS No: 135980-46-0 Catalog No: AG009BB7 MDL No:MFCD00997907
Product Description
Catalog Number:
AG009BB7
Chemical Name:
2-(1,3-DIOXO-1H,H-BENZO[DE]ISOQUINOLIN-2-YL)-PROPIONIC ACID
CAS Number:
135980-46-0
MDL Number:
MFCD00997907
IUPAC Name:
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanoic acid
InChI:
InChI=1S/C15H11NO4/c1-8(15(19)20)16-13(17)10-6-2-4-9-5-3-7-11(12(9)10)14(16)18/h2-8H,1H3,(H,19,20)
InChI Key:
KIMLTYQVHBXGLG-UHFFFAOYSA-N
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.256g/mol
Monoisotopic Mass:
269.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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