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89676-54-0 | 1,4-Naphthalenedione, 2,3-bis(methoxymethyl)-
CAS No: 89676-54-0 Catalog No: AG0042YD MDL No:
Product Description
Catalog Number:
AG0042YD
Chemical Name:
1,4-Naphthalenedione, 2,3-bis(methoxymethyl)-
CAS Number:
89676-54-0
Molecular Formula:
C14H14O4
Molecular Weight:
246.2586
IUPAC Name:
2,3-bis(methoxymethyl)naphthalene-1,4-dione
InChI:
InChI=1S/C14H14O4/c1-17-7-11-12(8-18-2)14(16)10-6-4-3-5-9(10)13(11)15/h3-6H,7-8H2,1-2H3
InChI Key:
LOMNCZJBIUJGHE-UHFFFAOYSA-N
SMILES:
COCC1=C(COC)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.089g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.262g/mol
Monoisotopic Mass:
246.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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