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89510-07-6 | 1,2-Naphthalenedione, 3-methoxy-4-(2-propenyl)-
CAS No: 89510-07-6 Catalog No: AG0040T1 MDL No:
Product Description
Catalog Number:
AG0040T1
Chemical Name:
1,2-Naphthalenedione, 3-methoxy-4-(2-propenyl)-
CAS Number:
89510-07-6
Molecular Formula:
C14H12O3
Molecular Weight:
228.2433
IUPAC Name:
3-methoxy-4-prop-2-enylnaphthalene-1,2-dione
InChI:
InChI=1S/C14H12O3/c1-3-6-11-9-7-4-5-8-10(9)12(15)13(16)14(11)17-2/h3-5,7-8H,1,6H2,2H3
InChI Key:
GWCWRTQOICQEDG-UHFFFAOYSA-N
SMILES:
C=CCC1=C(OC)C(=O)C(=O)c2c1cccc2
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.247g/mol
Monoisotopic Mass:
228.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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