200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 20129-60-6
20129-60-6 | 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3,6-bis(1-oxopropoxy)-
CAS No: 20129-60-6 Catalog No: AG002DC0 MDL No:
Product Description
Catalog Number:
AG002DC0
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3,6-bis(1-oxopropoxy)-
CAS Number:
20129-60-6
Molecular Formula:
C12H12O8
Molecular Weight:
284.2189
IUPAC Name:
(2,5-dihydroxy-3,6-dioxo-4-propanoyloxycyclohexa-1,4-dien-1-yl) propanoate
InChI:
InChI=1S/C12H12O8/c1-3-5(13)19-11-7(15)9(17)12(10(18)8(11)16)20-6(14)4-2/h15,18H,3-4H2,1-2H3
InChI Key:
SOAWVLIPJVKEKT-UHFFFAOYSA-N
SMILES:
CCC(=O)OC1=C(O)C(=O)C(=C(C1=O)O)OC(=O)CC
NSC Number:
91863
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.053g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.22g/mol
Monoisotopic Mass:
284.053g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.