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1988-11-0 | 2,5-Cyclohexadiene-1,4-dione, 2,6-bis(1-methylethyl)-
CAS No: 1988-11-0 Catalog No: AG002BR2 MDL No:MFCD18379392
Product Description
Catalog Number:
AG002BR2
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2,6-bis(1-methylethyl)-
CAS Number:
1988-11-0
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD18379392
IUPAC Name:
2,6-di(propan-2-yl)cyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C12H16O2/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8H,1-4H3
InChI Key:
DDXYWFGBQZICBD-UHFFFAOYSA-N
SMILES:
O=C1C=C(C(C)C)C(=O)C(=C1)C(C)C
UNII:
9809N0LP0N
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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