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86108-17-0 | 5-hydroxy-6-(1-hydroxyethyl)-2,7-dimethoxy-naphthalene-1,4-dione
CAS No: 86108-17-0 Catalog No: AG004L30 MDL No:
Product Description
Catalog Number:
AG004L30
Chemical Name:
5-hydroxy-6-(1-hydroxyethyl)-2,7-dimethoxy-naphthalene-1,4-dione
CAS Number:
86108-17-0
Molecular Formula:
C14H14O6
Molecular Weight:
278.2574
IUPAC Name:
5-hydroxy-6-(1-hydroxyethyl)-2,7-dimethoxynaphthalene-1,4-dione
InChI:
InChI=1S/C14H14O6/c1-6(15)11-9(19-2)4-7-12(14(11)18)8(16)5-10(20-3)13(7)17/h4-6,15,18H,1-3H3
InChI Key:
DUFFAWHPHNGPDG-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)c2c(C1=O)cc(c(c2O)C(O)C)OC
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.079g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.26g/mol
Monoisotopic Mass:
278.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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