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202805-07-0 | 6-(1,3-DIOXO-1H-BENZO[DE]ISOQUINOLIN-2(3H)-YL)HEXANOIC ACID
CAS No: 202805-07-0 Catalog No: AG00C3PE MDL No:MFCD00181326
Product Description
Catalog Number:
AG00C3PE
Chemical Name:
6-(1,3-DIOXO-1H-BENZO[DE]ISOQUINOLIN-2(3H)-YL)HEXANOIC ACID
CAS Number:
202805-07-0
Molecular Formula:
C18H17NO4
Molecular Weight:
311.3319
MDL Number:
MFCD00181326
IUPAC Name:
6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoic acid
InChI:
InChI=1S/C18H17NO4/c20-15(21)10-2-1-3-11-19-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(19)23/h4-9H,1-3,10-11H2,(H,20,21)
InChI Key:
ZILJZINSEYHWLP-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.337g/mol
Monoisotopic Mass:
311.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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