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52986-74-0 | Isoquinoline, 6-ethoxy- (9CI)
CAS No: 52986-74-0 Catalog No: AG00DZ81 MDL No:
Product Description
Catalog Number:
AG00DZ81
Chemical Name:
Isoquinoline, 6-ethoxy- (9CI)
CAS Number:
52986-74-0
IUPAC Name:
6-ethoxyisoquinoline
InChI:
InChI=1S/C11H11NO/c1-2-13-11-4-3-10-8-12-6-5-9(10)7-11/h3-8H,2H2,1H3
InChI Key:
IGGGWGBPSWUADK-UHFFFAOYSA-N
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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