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52947-18-9 | 4-(Isoquinolin-1-yl)benzoic acid
CAS No: 52947-18-9 Catalog No: AG00DI08 MDL No:
Product Description
Catalog Number:
AG00DI08
Chemical Name:
4-(Isoquinolin-1-yl)benzoic acid
CAS Number:
52947-18-9
IUPAC Name:
4-isoquinolin-1-ylbenzoic acid
InChI:
InChI=1S/C16H11NO2/c18-16(19)13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-17-15/h1-10H,(H,18,19)
InChI Key:
YBKCGCORFPBGLA-UHFFFAOYSA-N
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.269g/mol
Monoisotopic Mass:
249.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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