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83662-35-5 | 1,4-Naphthalenedione, 2-acetyl-6,8-dimethoxy-
CAS No: 83662-35-5 Catalog No: AG004Y21 MDL No:
Product Description
Catalog Number:
AG004Y21
Chemical Name:
1,4-Naphthalenedione, 2-acetyl-6,8-dimethoxy-
CAS Number:
83662-35-5
Molecular Formula:
C14H12O5
Molecular Weight:
260.2421
IUPAC Name:
2-acetyl-6,8-dimethoxynaphthalene-1,4-dione
InChI:
InChI=1S/C14H12O5/c1-7(15)9-6-11(16)10-4-8(18-2)5-12(19-3)13(10)14(9)17/h4-6H,1-3H3
InChI Key:
UFAKDTCRYUQAHK-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1)C(=O)C=C(C2=O)C(=O)C
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.245g/mol
Monoisotopic Mass:
260.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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