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89510-08-7 | 1,2-Naphthalenedione, 3-ethoxy-4-(2-propenyl)-
CAS No: 89510-08-7 Catalog No: AG004139 MDL No:
Product Description
Catalog Number:
AG004139
Chemical Name:
1,2-Naphthalenedione, 3-ethoxy-4-(2-propenyl)-
CAS Number:
89510-08-7
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
IUPAC Name:
3-ethoxy-4-prop-2-enylnaphthalene-1,2-dione
InChI:
InChI=1S/C15H14O3/c1-3-7-12-10-8-5-6-9-11(10)13(16)14(17)15(12)18-4-2/h3,5-6,8-9H,1,4,7H2,2H3
InChI Key:
VVSDOJZZQIOIDL-UHFFFAOYSA-N
SMILES:
C=CCC1=C(OCC)C(=O)C(=O)c2c1cccc2
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.274g/mol
Monoisotopic Mass:
242.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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