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75089-88-2 | 1,2-Naphthalenedione, 3-acetyl-
CAS No: 75089-88-2 Catalog No: AG005ECU MDL No:
Product Description
Catalog Number:
AG005ECU
Chemical Name:
1,2-Naphthalenedione, 3-acetyl-
CAS Number:
75089-88-2
Molecular Formula:
C12H8O3
Molecular Weight:
200.1901
IUPAC Name:
3-acetylnaphthalene-1,2-dione
InChI:
InChI=1S/C12H8O3/c1-7(13)10-6-8-4-2-3-5-9(8)11(14)12(10)15/h2-6H,1H3
InChI Key:
ATZLOFVECLKRTH-UHFFFAOYSA-N
SMILES:
CC(=O)C1=Cc2ccccc2C(=O)C1=O
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.047g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.193g/mol
Monoisotopic Mass:
200.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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