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90308-98-8

90308-98-8 | 1,4-Naphthalenedione, 2-hydroxy-3-(11-oxododecyl)-

CAS No: 90308-98-8 Catalog No: AG006FWP MDL No:

Product Description

Catalog Number:
AG006FWP
Chemical Name:
1,4-Naphthalenedione, 2-hydroxy-3-(11-oxododecyl)-
CAS Number:
90308-98-8
Molecular Formula:
C22H28O4
Molecular Weight:
356.4553
IUPAC Name:
4-hydroxy-3-(11-oxododecyl)naphthalene-1,2-dione
InChI:
InChI=1S/C22H28O4/c1-16(23)12-8-6-4-2-3-5-7-9-15-19-20(24)17-13-10-11-14-18(17)21(25)22(19)26/h10-11,13-14,24H,2-9,12,15H2,1H3
InChI Key:
URBNMXLUPFVMEN-UHFFFAOYSA-N
SMILES:
CC(=O)CCCCCCCCCCC1=C(O)C(=O)c2c(C1=O)cccc2

Properties

Complexity:
546  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.199g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
356.462g/mol
Monoisotopic Mass:
356.199g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  

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