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88343-22-0 | Quinoline, 1-acetyl-1,2,3,4-tetrahydro-6-(3-methyl-2-butenyl)-
CAS No: 88343-22-0 Catalog No: AG0046P0 MDL No:
Product Description
Catalog Number:
AG0046P0
Chemical Name:
Quinoline, 1-acetyl-1,2,3,4-tetrahydro-6-(3-methyl-2-butenyl)-
CAS Number:
88343-22-0
Molecular Formula:
C16H21NO
Molecular Weight:
243.3440
IUPAC Name:
1-[6-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
InChI:
InChI=1S/C16H21NO/c1-12(2)6-7-14-8-9-16-15(11-14)5-4-10-17(16)13(3)18/h6,8-9,11H,4-5,7,10H2,1-3H3
InChI Key:
RRVAHNUJMTXVLU-UHFFFAOYSA-N
SMILES:
CC(=CCc1ccc2c(c1)CCCN2C(=O)C)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.162g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.35g/mol
Monoisotopic Mass:
243.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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