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29148-36-5 | 2,5-Cyclohexadiene-1,4-dione, 2-ethyl-5-methyl-
CAS No: 29148-36-5 Catalog No: AG002XHC MDL No:
Product Description
Catalog Number:
AG002XHC
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2-ethyl-5-methyl-
CAS Number:
29148-36-5
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
IUPAC Name:
2-ethyl-5-methylcyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C9H10O2/c1-3-7-5-8(10)6(2)4-9(7)11/h4-5H,3H2,1-2H3
InChI Key:
JUIQOKRNPGGIPV-UHFFFAOYSA-N
SMILES:
CCC1=CC(=O)C(=CC1=O)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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