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42835-97-2 | 7-METHOXY-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINE
CAS No: 42835-97-2 Catalog No: AG01BJHN MDL No:MFCD15144269
Product Description
Catalog Number:
AG01BJHN
Chemical Name:
7-METHOXY-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINE
CAS Number:
42835-97-2
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD15144269
IUPAC Name:
7-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C11H15NO/c1-8-3-4-9-5-6-10(13-2)7-11(9)12-8/h5-8,12H,3-4H2,1-2H3
InChI Key:
LPULBFXLOWGNEC-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)NC(CC2)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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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