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54675-21-7 | 1-ethyl-4-hydroxy-6-methylquinolin-2(1H)-one
CAS No: 54675-21-7 Catalog No: AG00E4DH MDL No:MFCD12198107
Product Description
Catalog Number:
AG00E4DH
Chemical Name:
1-ethyl-4-hydroxy-6-methylquinolin-2(1H)-one
CAS Number:
54675-21-7
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD12198107
IUPAC Name:
1-ethyl-4-hydroxy-6-methylquinolin-2-one
InChI:
InChI=1S/C12H13NO2/c1-3-13-10-5-4-8(2)6-9(10)11(14)7-12(13)15/h4-7,14H,3H2,1-2H3
InChI Key:
NBQFLJHARUBXDQ-UHFFFAOYSA-N
SMILES:
CCn1c(=O)cc(c2c1ccc(c2)C)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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