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200405-80-7 | 2-ethyl-3-methyl-1,4-dihydroquinolin-4-one
CAS No: 200405-80-7 Catalog No: AG01C8FG MDL No:MFCD18363300
Product Description
Catalog Number:
AG01C8FG
Chemical Name:
2-ethyl-3-methyl-1,4-dihydroquinolin-4-one
CAS Number:
200405-80-7
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD18363300
IUPAC Name:
2-ethyl-3-methyl-1H-quinolin-4-one
InChI:
InChI=1S/C12H13NO/c1-3-10-8(2)12(14)9-6-4-5-7-11(9)13-10/h4-7H,3H2,1-2H3,(H,13,14)
InChI Key:
AQSUDTSFDUYUMO-UHFFFAOYSA-N
SMILES:
CCc1[nH]c2ccccc2c(=O)c1C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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