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20129-62-8 | 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrakis(1-oxopropoxy)-
CAS No: 20129-62-8 Catalog No: AG002DBY MDL No:
Product Description
Catalog Number:
AG002DBY
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrakis(1-oxopropoxy)-
CAS Number:
20129-62-8
Molecular Formula:
C18H20O10
Molecular Weight:
396.3454
IUPAC Name:
[3,6-dioxo-2,4,5-tri(propanoyloxy)cyclohexa-1,4-dien-1-yl] propanoate
InChI:
InChI=1S/C18H20O10/c1-5-9(19)25-15-13(23)17(27-11(21)7-3)18(28-12(22)8-4)14(24)16(15)26-10(20)6-2/h5-8H2,1-4H3
InChI Key:
UFGQQAAJMBUODB-UHFFFAOYSA-N
SMILES:
CCC(=O)OC1=C(OC(=O)CC)C(=O)C(=C(C1=O)OC(=O)CC)OC(=O)CC
NSC Number:
91867
Properties
Complexity:
658
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.106g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.348g/mol
Monoisotopic Mass:
396.106g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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