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75689-18-8

75689-18-8 | 1,4-Naphthalenedione, 2-(5-methyl-2-furanyl)-

CAS No: 75689-18-8 Catalog No: AG005IUJ MDL No:

Product Description

Catalog Number:
AG005IUJ
Chemical Name:
1,4-Naphthalenedione, 2-(5-methyl-2-furanyl)-
CAS Number:
75689-18-8
Molecular Formula:
C15H10O3
Molecular Weight:
238.2381
IUPAC Name:
2-(5-methylfuran-2-yl)naphthalene-1,4-dione
InChI:
InChI=1S/C15H10O3/c1-9-6-7-14(18-9)12-8-13(16)10-4-2-3-5-11(10)15(12)17/h2-8H,1H3
InChI Key:
VGONAXFBLQJUMO-UHFFFAOYSA-N
SMILES:
Cc1ccc(o1)C1=CC(=O)c2c(C1=O)cccc2

Properties

Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.063g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.242g/mol
Monoisotopic Mass:
238.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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