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882671-05-8 | 3-(7-isoquinolinyl)Benzoic acid
CAS No: 882671-05-8 Catalog No: AG00H42I MDL No:
Product Description
Catalog Number:
AG00H42I
Chemical Name:
3-(7-isoquinolinyl)Benzoic acid
CAS Number:
882671-05-8
IUPAC Name:
3-isoquinolin-7-ylbenzoic acid
InChI:
InChI=1S/C16H11NO2/c18-16(19)14-3-1-2-12(8-14)13-5-4-11-6-7-17-10-15(11)9-13/h1-10H,(H,18,19)
InChI Key:
KDHRYEIADABBGP-UHFFFAOYSA-N
Properties
Complexity:
331
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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