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89101-84-8 | 1,4-Naphthalenedione, 2-(1,5-dioxoheptyl)-8-methoxy-
CAS No: 89101-84-8 Catalog No: AG003YJN MDL No:
Product Description
Catalog Number:
AG003YJN
Chemical Name:
1,4-Naphthalenedione, 2-(1,5-dioxoheptyl)-8-methoxy-
CAS Number:
89101-84-8
Molecular Formula:
C18H18O5
Molecular Weight:
314.3325
IUPAC Name:
8-methoxy-2-(5-oxoheptanoyl)naphthalene-1,4-dione
InChI:
InChI=1S/C18H18O5/c1-3-11(19)6-4-8-14(20)13-10-15(21)12-7-5-9-16(23-2)17(12)18(13)22/h5,7,9-10H,3-4,6,8H2,1-2H3
InChI Key:
NZVQMQIHOIIFJO-UHFFFAOYSA-N
SMILES:
CCC(=O)CCCC(=O)C1=CC(=O)c2c(C1=O)c(OC)ccc2
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.115g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.337g/mol
Monoisotopic Mass:
314.115g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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