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89827-89-4 | 1,4-Naphthalenedione, 2,7,8-trimethoxy-5-methyl-
CAS No: 89827-89-4 Catalog No: AG003XMI MDL No:
Product Description
Catalog Number:
AG003XMI
Chemical Name:
1,4-Naphthalenedione, 2,7,8-trimethoxy-5-methyl-
CAS Number:
89827-89-4
Molecular Formula:
C14H14O5
Molecular Weight:
262.2580
IUPAC Name:
2,7,8-trimethoxy-5-methylnaphthalene-1,4-dione
InChI:
InChI=1S/C14H14O5/c1-7-5-10(18-3)14(19-4)12-11(7)8(15)6-9(17-2)13(12)16/h5-6H,1-4H3
InChI Key:
NQFJCGRWNSPTNW-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)c2c(C1=O)c(OC)c(cc2C)OC
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.261g/mol
Monoisotopic Mass:
262.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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