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71186-88-4 | 1,4-Naphthalenedione, 6-(acetyloxy)-
CAS No: 71186-88-4 Catalog No: AG005KD1 MDL No:
Product Description
Catalog Number:
AG005KD1
Chemical Name:
1,4-Naphthalenedione, 6-(acetyloxy)-
CAS Number:
71186-88-4
Molecular Formula:
C12H8O4
Molecular Weight:
216.1895
IUPAC Name:
(5,8-dioxonaphthalen-2-yl) acetate
InChI:
InChI=1S/C12H8O4/c1-7(13)16-8-2-3-9-10(6-8)12(15)5-4-11(9)14/h2-6H,1H3
InChI Key:
RDCAEWYIUWMOMM-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc2c(c1)C(=O)C=CC2=O
Properties
Complexity:
369
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:
1.2
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