1,4-Naphthalenedione, 6-methyl-


Chemical Name: 1,4-Naphthalenedione, 6-methyl-
CAS Number: 605-93-6
Product Number: AG00EF5X(AGN-PC-0JTJZQ)
Synonyms:
MDL No:
Molecular Formula: C11H8O2
Molecular Weight: 172.18002

Identification/Properties


Computed Properties
Molecular Weight:
172.183g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
172.052g/mol
Monoisotopic Mass:
172.052g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
278
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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