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125284-20-0 | 3-Penten-2-one, 4-(1-hydroperoxy-2,2-dimethyl-6-methylenecyclohexyl)-, (3E)-
CAS No: 125284-20-0 Catalog No: AG000NFF MDL No:
Product Description
Catalog Number:
AG000NFF
Chemical Name:
3-Penten-2-one, 4-(1-hydroperoxy-2,2-dimethyl-6-methylenecyclohexyl)-, (3E)-
CAS Number:
125284-20-0
Molecular Formula:
C14H22O3
Molecular Weight:
238.3227
IUPAC Name:
4-(1-hydroperoxy-2,2-dimethyl-6-methylidenecyclohexyl)pent-3-en-2-one
InChI:
InChI=1S/C14H22O3/c1-10-7-6-8-13(4,5)14(10,17-16)11(2)9-12(3)15/h9,16H,1,6-8H2,2-5H3
InChI Key:
ABKYIBLLJAHNQO-UHFFFAOYSA-N
SMILES:
OOC1(/C(=C/C(=O)C)/C)C(=C)CCCC1(C)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.327g/mol
Monoisotopic Mass:
238.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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