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178490-52-3 | 1,4-Naphthalenedione, 2-ethyl-3,5,8-trihydroxy-6-methoxy-7-methyl-
CAS No: 178490-52-3 Catalog No: AG00263C MDL No:
Product Description
Catalog Number:
AG00263C
Chemical Name:
1,4-Naphthalenedione, 2-ethyl-3,5,8-trihydroxy-6-methoxy-7-methyl-
CAS Number:
178490-52-3
Molecular Formula:
C14H14O6
Molecular Weight:
278.2574
IUPAC Name:
6-ethyl-5,7,8-trihydroxy-2-methoxy-3-methylnaphthalene-1,4-dione
InChI:
InChI=1S/C14H14O6/c1-4-6-10(16)7-8(12(18)11(6)17)13(19)14(20-3)5(2)9(7)15/h16-18H,4H2,1-3H3
InChI Key:
ZGUVSPWAPHXUNM-UHFFFAOYSA-N
SMILES:
CCC1=C(O)C(=O)c2c(C1=O)c(O)c(c(c2O)OC)C
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.079g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.26g/mol
Monoisotopic Mass:
278.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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