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28917-12-6 | 2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-(1,2,2-trimethylcyclopentyl)-
CAS No: 28917-12-6 Catalog No: AG002X2F MDL No:
Product Description
Catalog Number:
AG002X2F
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-(1,2,2-trimethylcyclopentyl)-
CAS Number:
28917-12-6
Molecular Formula:
C15H20O2
Molecular Weight:
232.3181
IUPAC Name:
2-methyl-5-(1,2,2-trimethylcyclopentyl)cyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C15H20O2/c1-10-8-13(17)11(9-12(10)16)15(4)7-5-6-14(15,2)3/h8-9H,5-7H2,1-4H3
InChI Key:
AOCQROFLQIRDKW-UHFFFAOYSA-N
SMILES:
O=C1C=C(C)C(=O)C=C1C1(C)CCCC1(C)C
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.146g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.323g/mol
Monoisotopic Mass:
232.146g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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