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180918-37-0 | 1,4-Naphthalenedione, 2-hydroxy-3-(1-methylcyclohexyl)-
CAS No: 180918-37-0 Catalog No: AG0022GK MDL No:
Product Description
Catalog Number:
AG0022GK
Chemical Name:
1,4-Naphthalenedione, 2-hydroxy-3-(1-methylcyclohexyl)-
CAS Number:
180918-37-0
Molecular Formula:
C17H18O3
Molecular Weight:
270.3230
IUPAC Name:
4-hydroxy-3-(1-methylcyclohexyl)naphthalene-1,2-dione
InChI:
InChI=1S/C17H18O3/c1-17(9-5-2-6-10-17)13-14(18)11-7-3-4-8-12(11)15(19)16(13)20/h3-4,7-8,18H,2,5-6,9-10H2,1H3
InChI Key:
GGNUKXHSNGFDBA-UHFFFAOYSA-N
SMILES:
OC1=C(C(=O)c2c(C1=O)cccc2)C1(C)CCCCC1
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.328g/mol
Monoisotopic Mass:
270.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Herbicidal action of 2-hydroxy-3-alkyl-1,4-naphthoquinones. | Pest management science 20020301 |
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