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614-13-1 | 2-Methoxy-5-Methyl-1,4-Benzoquinone
CAS No: 614-13-1 Catalog No: AG003HJ8 MDL No:
Product Description
Catalog Number:
AG003HJ8
Chemical Name:
2-Methoxy-5-Methyl-1,4-Benzoquinone
CAS Number:
614-13-1
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
IUPAC Name:
2-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C8H8O3/c1-5-3-7(10)8(11-2)4-6(5)9/h3-4H,1-2H3
InChI Key:
VJVOAGLABGZRSL-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)C(=CC1=O)C
UNII:
65F6O8111V
NSC Number:
3071
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.047g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.149g/mol
Monoisotopic Mass:
152.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Activity of 1,4-benzoquinones against formosan subterranean termites (Coptotermes formosanus). | Journal of agricultural and food chemistry 20080611 |
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