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216059-93-7 | 4-(Isoquinolin-4-yl)benzoic acid
CAS No: 216059-93-7 Catalog No: AG00BG62 MDL No:
Product Description
Catalog Number:
AG00BG62
Chemical Name:
4-(Isoquinolin-4-yl)benzoic acid
CAS Number:
216059-93-7
IUPAC Name:
4-isoquinolin-4-ylbenzoic acid
InChI:
InChI=1S/C16H11NO2/c18-16(19)12-7-5-11(6-8-12)15-10-17-9-13-3-1-2-4-14(13)15/h1-10H,(H,18,19)
InChI Key:
RGMRPLQCSZSHJB-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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