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135015-64-4 | 4(1H)-Quinolinone, 2-butyl-
CAS No: 135015-64-4 Catalog No: AG00HTU7 MDL No:MFCD24552841
Product Description
Catalog Number:
AG00HTU7
Chemical Name:
4(1H)-Quinolinone, 2-butyl-
CAS Number:
135015-64-4
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
MDL Number:
MFCD24552841
IUPAC Name:
2-butyl-1H-quinolin-4-one
InChI:
InChI=1S/C13H15NO/c1-2-3-6-10-9-13(15)11-7-4-5-8-12(11)14-10/h4-5,7-9H,2-3,6H2,1H3,(H,14,15)
InChI Key:
VCANFRORCMQOFD-UHFFFAOYSA-N
SMILES:
CCCCc1cc(=O)c2c([nH]1)cccc2
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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