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20258-98-4 | 1-Naphthalenecarboxaldehyde, 2,6-dihydroxy-
CAS No: 20258-98-4 Catalog No: AG0028AP MDL No:
Product Description
Catalog Number:
AG0028AP
Chemical Name:
1-Naphthalenecarboxaldehyde, 2,6-dihydroxy-
CAS Number:
20258-98-4
Molecular Formula:
C11H8O3
Molecular Weight:
188.1794
IUPAC Name:
2,6-dihydroxynaphthalene-1-carbaldehyde
InChI:
InChI=1S/C11H8O3/c12-6-10-9-3-2-8(13)5-7(9)1-4-11(10)14/h1-6,13-14H
InChI Key:
WRBJZNAPDVBCQM-UHFFFAOYSA-N
SMILES:
O=Cc1c(O)ccc2c1ccc(c2)O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.182g/mol
Monoisotopic Mass:
188.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Selective irreversible inhibition of fructose 1,6-bisphosphate aldolase from Trypanosoma brucei. | Journal of medicinal chemistry 20060309 |
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