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337337-47-0 | 4-(4-hydroxy-2,8-dimethylquinolin-3-yl)butan-2-one
CAS No: 337337-47-0 Catalog No: AG00C5R2 MDL No:MFCD01909866
Product Description
Catalog Number:
AG00C5R2
Chemical Name:
4-(4-hydroxy-2,8-dimethylquinolin-3-yl)butan-2-one
CAS Number:
337337-47-0
Molecular Formula:
C15H17NO2
Molecular Weight:
243.3010
MDL Number:
MFCD01909866
IUPAC Name:
2,8-dimethyl-3-(3-oxobutyl)-1H-quinolin-4-one
InChI:
InChI=1S/C15H17NO2/c1-9-5-4-6-13-14(9)16-11(3)12(15(13)18)8-7-10(2)17/h4-6H,7-8H2,1-3H3,(H,16,18)
InChI Key:
CEUSSAZWZBNLBN-UHFFFAOYSA-N
SMILES:
CC(=O)CCc1c(C)nc2c(c1O)cccc2C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.306g/mol
Monoisotopic Mass:
243.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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