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1329382-11-7 | 1-(4-hydroxy-6-methoxy-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
CAS No: 1329382-11-7 Catalog No: AG01BT6H MDL No:
Product Description
Catalog Number:
AG01BT6H
Chemical Name:
1-(4-hydroxy-6-methoxy-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
CAS Number:
1329382-11-7
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
InChI:
InChI=1S/C12H15NO3/c1-8(14)13-6-5-12(15)10-7-9(16-2)3-4-11(10)13/h3-4,7,12,15H,5-6H2,1-2H3
InChI Key:
YAPGVWLHVVBISW-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(O)CCN2C(=O)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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