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13302-67-5 | 1,2,4-Naphthalenetriol
CAS No: 13302-67-5 Catalog No: AG0011JB MDL No:
Product Description
Catalog Number:
AG0011JB
Chemical Name:
1,2,4-Naphthalenetriol
CAS Number:
13302-67-5
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
IUPAC Name:
naphthalene-1,2,4-triol
InChI:
InChI=1S/C10H8O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11-13H
InChI Key:
ZRJPJJSLXARURS-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c(c2c1cccc2)O
EC Number:
236-327-2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Role of oxidant stress in lawsone-induced hemolytic anemia. | Toxicological sciences : an official journal of the Society of Toxicology 20041201 |
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