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69808-30-6 | 2,4(1H,3H)-Quinolinedione,3-heptyl-3-hydroxy-, (+)-
CAS No: 69808-30-6 Catalog No: AG005HO6 MDL No:
Product Description
Catalog Number:
AG005HO6
Chemical Name:
2,4(1H,3H)-Quinolinedione,3-heptyl-3-hydroxy-, (+)-
CAS Number:
69808-30-6
Molecular Formula:
C16H21NO3
Molecular Weight:
275.3428
IUPAC Name:
3-heptyl-3-hydroxy-1H-quinoline-2,4-dione
InChI:
InChI=1S/C16H21NO3/c1-2-3-4-5-8-11-16(20)14(18)12-9-6-7-10-13(12)17-15(16)19/h6-7,9-10,20H,2-5,8,11H2,1H3,(H,17,19)
InChI Key:
FVEWTXHYDMOBCF-UHFFFAOYSA-N
SMILES:
CCCCCCCC1(O)C(=O)Nc2c(C1=O)cccc2
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.348g/mol
Monoisotopic Mass:
275.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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