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89509-94-4 | 1,2-Naphthalenedione, 3-(1-oxopropyl)-
CAS No: 89509-94-4 Catalog No: AG00413B MDL No:
Product Description
Catalog Number:
AG00413B
Chemical Name:
1,2-Naphthalenedione, 3-(1-oxopropyl)-
CAS Number:
89509-94-4
Molecular Formula:
C13H10O3
Molecular Weight:
214.2167
IUPAC Name:
3-propanoylnaphthalene-1,2-dione
InChI:
InChI=1S/C13H10O3/c1-2-11(14)10-7-8-5-3-4-6-9(8)12(15)13(10)16/h3-7H,2H2,1H3
InChI Key:
GVTDSPNWSXXHQB-UHFFFAOYSA-N
SMILES:
CCC(=O)C1=Cc2ccccc2C(=O)C1=O
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.22g/mol
Monoisotopic Mass:
214.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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