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Home > Other Heterocycles > 102392-50-7
102392-50-7 | Spiro[5.5]undeca-1,4,8-trien-3-one, 2,4-bis(1-methylethyl)-
CAS No: 102392-50-7 Catalog No: AG0007BT MDL No:
Product Description
Catalog Number:
AG0007BT
Chemical Name:
Spiro[5.5]undeca-1,4,8-trien-3-one, 2,4-bis(1-methylethyl)-
CAS Number:
102392-50-7
Molecular Formula:
C17H24O
Molecular Weight:
244.3719
IUPAC Name:
2,4-di(propan-2-yl)spiro[5.5]undeca-1,4,9-trien-3-one
InChI:
InChI=1S/C17H24O/c1-12(2)14-10-17(8-6-5-7-9-17)11-15(13(3)4)16(14)18/h5-6,10-13H,7-9H2,1-4H3
InChI Key:
JZRUVSCRHZNCGF-UHFFFAOYSA-N
SMILES:
CC(C1=CC2(CCC=CC2)C=C(C1=O)C(C)C)C
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.183g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.378g/mol
Monoisotopic Mass:
244.183g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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