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141075-00-5 | 1,2-Naphthalenedione, 4,5-dihydroxy-
CAS No: 141075-00-5 Catalog No: AG001FTM MDL No:
Product Description
Catalog Number:
AG001FTM
Chemical Name:
1,2-Naphthalenedione, 4,5-dihydroxy-
CAS Number:
141075-00-5
Molecular Formula:
C10H6O4
Molecular Weight:
190.1522
IUPAC Name:
4,5-dihydroxynaphthalene-1,2-dione
InChI:
InChI=1S/C10H6O4/c11-6-3-1-2-5-9(6)7(12)4-8(13)10(5)14/h1-4,11-12H
InChI Key:
AQMHLTLDUPBBEF-UHFFFAOYSA-N
SMILES:
O=C1C=C(O)c2c(C1=O)cccc2O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.027g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.154g/mol
Monoisotopic Mass:
190.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Antiproliferative activity of synthetic naphthoquinones related to lapachol. First synthesis of 5-hydroxylapachol. | Bioorganic & medicinal chemistry 20100401 |
| Melanin synthesis by Sclerotinia sclerotiorum. | Mycologia 20090101 |
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