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78265-13-1 | 1,4-Dimethoxy-2-naphthoic acid
CAS No: 78265-13-1 Catalog No: AG003DOP MDL No:
Product Description
Catalog Number:
AG003DOP
Chemical Name:
1,4-Dimethoxy-2-naphthoic acid
CAS Number:
78265-13-1
IUPAC Name:
1,4-dimethoxynaphthalene-2-carboxylic acid
InChI:
InChI=1S/C13H12O4/c1-16-11-7-10(13(14)15)12(17-2)9-6-4-3-5-8(9)11/h3-7H,1-2H3,(H,14,15)
InChI Key:
BGJOEOQFJYFEGG-UHFFFAOYSA-N
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.235g/mol
Monoisotopic Mass:
232.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Editor's Highlight: Microbial-Derived 1,4-Dihydroxy-2-naphthoic Acid and Related Compounds as Aryl Hydrocarbon Receptor Agonists/Antagonists: Structure-Activity Relationships and Receptor Modeling. | Toxicological sciences : an official journal of the Society of Toxicology 20170201 |
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