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18813-68-8 | 4(1H)-Quinolinone, 2-hexyl-
CAS No: 18813-68-8 Catalog No: AG00I2BI MDL No:MFCD28991947
Product Description
Catalog Number:
AG00I2BI
Chemical Name:
4(1H)-Quinolinone, 2-hexyl-
CAS Number:
18813-68-8
Molecular Formula:
C15H19NO
Molecular Weight:
229.3175
MDL Number:
MFCD28991947
IUPAC Name:
2-hexyl-1H-quinolin-4-one
InChI:
InChI=1S/C15H19NO/c1-2-3-4-5-8-12-11-15(17)13-9-6-7-10-14(13)16-12/h6-7,9-11H,2-5,8H2,1H3,(H,16,17)
InChI Key:
DBFMEGDHHAYDPJ-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc(=O)c2c([nH]1)cccc2
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.323g/mol
Monoisotopic Mass:
229.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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