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1222438-20-1 | 2-Naphthalenecarboxylic acid, 1,4-dihydro-1-hydroxy-
CAS No: 1222438-20-1 Catalog No: AG0016YZ MDL No:
Product Description
Catalog Number:
AG0016YZ
Chemical Name:
2-Naphthalenecarboxylic acid, 1,4-dihydro-1-hydroxy-
CAS Number:
1222438-20-1
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
IUPAC Name:
1-hydroxy-1,4-dihydronaphthalene-2-carboxylic acid
InChI:
InChI=1S/C11H10O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-4,6,10,12H,5H2,(H,13,14)
InChI Key:
IDWXYPNYHGGFKK-UHFFFAOYSA-N
SMILES:
OC(=O)C1=CCc2c(C1O)cccc2
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis of novel rhinacanthins and related anticancer naphthoquinone esters. | Journal of medicinal chemistry 20040826 |
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