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13849-56-4 | 2(1H)-Quinolinone, 3-(2,3-dihydroxy-3-methylbutyl)-4-methoxy-1-methyl-
CAS No: 13849-56-4 Catalog No: AG0019A8 MDL No:
Product Description
Catalog Number:
AG0019A8
Chemical Name:
2(1H)-Quinolinone, 3-(2,3-dihydroxy-3-methylbutyl)-4-methoxy-1-methyl-
CAS Number:
13849-56-4
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
IUPAC Name:
3-(2,3-dihydroxy-3-methylbutyl)-4-methoxy-1-methylquinolin-2-one
InChI:
InChI=1S/C16H21NO4/c1-16(2,20)13(18)9-11-14(21-4)10-7-5-6-8-12(10)17(3)15(11)19/h5-8,13,18,20H,9H2,1-4H3
InChI Key:
NHNXJYYEQLVCAZ-UHFFFAOYSA-N
SMILES:
COc1c(CC(C(O)(C)C)O)c(=O)n(c2c1cccc2)C
NSC Number:
611120
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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