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848781-37-3 | 4(1H)-Quinolinone, 2-dodecyl-2,3-dihydro-1-hydroxy-
CAS No: 848781-37-3 Catalog No: AG008G0N MDL No:
Product Description
Catalog Number:
AG008G0N
Chemical Name:
4(1H)-Quinolinone, 2-dodecyl-2,3-dihydro-1-hydroxy-
CAS Number:
848781-37-3
Molecular Formula:
C21H33NO2
Molecular Weight:
331.4922
IUPAC Name:
2-dodecyl-1-hydroxy-2,3-dihydroquinolin-4-one
InChI:
InChI=1S/C21H33NO2/c1-2-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)24/h12-13,15-16,18,24H,2-11,14,17H2,1H3
InChI Key:
BNLKNIRPXXHMCE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC1CC(=O)c2c(N1O)cccc2
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.251g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.5g/mol
Monoisotopic Mass:
331.251g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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