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Home > Quinoline > 1243816-97-8
1243816-97-8 | Isoquinoline, 4-ethyl-1,2,3,4-tetrahydro-6-methoxy-
CAS No: 1243816-97-8 Catalog No: AG000LXM MDL No:MFCD19348183
Product Description
Catalog Number:
AG000LXM
Chemical Name:
Isoquinoline, 4-ethyl-1,2,3,4-tetrahydro-6-methoxy-
CAS Number:
1243816-97-8
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
MDL Number:
MFCD19348183
IUPAC Name:
4-ethyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C12H17NO/c1-3-9-7-13-8-10-4-5-11(14-2)6-12(9)10/h4-6,9,13H,3,7-8H2,1-2H3
InChI Key:
YZVQBQYZDXOHKU-UHFFFAOYSA-N
SMILES:
CCC1CNCc2c1cc(OC)cc2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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