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953726-89-1 | 8-methoxy-5-methyl-1,2,3,4-tetrahydroquinoline
CAS No: 953726-89-1 Catalog No: AG01AA3J MDL No:MFCD09736265
Product Description
Catalog Number:
AG01AA3J
Chemical Name:
8-methoxy-5-methyl-1,2,3,4-tetrahydroquinoline
CAS Number:
953726-89-1
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD09736265
IUPAC Name:
8-methoxy-5-methyl-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C11H15NO/c1-8-5-6-10(13-2)11-9(8)4-3-7-12-11/h5-6,12H,3-4,7H2,1-2H3
InChI Key:
DQAJTBHMPZTUNX-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1NCCC2)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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