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1785-65-5 | 1,4-Naphthalenedione, 2-(acetyloxy)-
CAS No: 1785-65-5 Catalog No: AG002644 MDL No:
Product Description
Catalog Number:
AG002644
Chemical Name:
1,4-Naphthalenedione, 2-(acetyloxy)-
CAS Number:
1785-65-5
Molecular Formula:
C12H8O4
Molecular Weight:
216.1895
IUPAC Name:
(1,4-dioxonaphthalen-2-yl) acetate
InChI:
InChI=1S/C12H8O4/c1-7(13)16-11-6-10(14)8-4-2-3-5-9(8)12(11)15/h2-6H,1H3
InChI Key:
QHISPATYFAPAKC-UHFFFAOYSA-N
SMILES:
CC(=O)OC1=CC(=O)c2c(C1=O)cccc2
NSC Number:
100542
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.192g/mol
Monoisotopic Mass:
216.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Study on cytotoxicity and structure-activity relationship of HL-7702 cell exposed to naphthoquinones. | Environmental toxicology and pharmacology 20120501 |
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