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14777-30-1

14777-30-1 | 1,4-Naphthalenedione, 2-(1-oxopropyl)-

CAS No: 14777-30-1 Catalog No: AG001F6V MDL No:

Product Description

Catalog Number:
AG001F6V
Chemical Name:
1,4-Naphthalenedione, 2-(1-oxopropyl)-
CAS Number:
14777-30-1
Molecular Formula:
C13H10O3
Molecular Weight:
214.2167
IUPAC Name:
2-propanoylnaphthalene-1,4-dione
InChI:
InChI=1S/C13H10O3/c1-2-11(14)10-7-12(15)8-5-3-4-6-9(8)13(10)16/h3-7H,2H2,1H3
InChI Key:
RDZZFOBERIJIJN-UHFFFAOYSA-N
SMILES:
CCC(=O)C1=CC(=O)c2c(C1=O)cccc2

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:
2.2  

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