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139553-27-8 | 2-Cyclohexene-1,4-dione, 5,6-dihydroxy-2,3,5,6-tetramethyl-
CAS No: 139553-27-8 Catalog No: AG001B9N MDL No:
Product Description
Catalog Number:
AG001B9N
Chemical Name:
2-Cyclohexene-1,4-dione, 5,6-dihydroxy-2,3,5,6-tetramethyl-
CAS Number:
139553-27-8
Molecular Formula:
C10H14O4
Molecular Weight:
198.2158
IUPAC Name:
5,6-dihydroxy-2,3,5,6-tetramethylcyclohex-2-ene-1,4-dione
InChI:
InChI=1S/C10H14O4/c1-5-6(2)8(12)10(4,14)9(3,13)7(5)11/h13-14H,1-4H3
InChI Key:
PITJOTSUKAYVOO-UHFFFAOYSA-N
SMILES:
CC1=C(C)C(=O)C(C(C1=O)(C)O)(C)O
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.089g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.218g/mol
Monoisotopic Mass:
198.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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