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131984-22-0 | 1-Oxaspiro[2.4]heptane, 4-[(4-chlorophenyl)methylene]-7,7-dimethyl-
CAS No: 131984-22-0 Catalog No: AG001010 MDL No:
Product Description
Catalog Number:
AG001010
Chemical Name:
1-Oxaspiro[2.4]heptane, 4-[(4-chlorophenyl)methylene]-7,7-dimethyl-
CAS Number:
131984-22-0
Molecular Formula:
C15H17ClO
Molecular Weight:
248.7479
IUPAC Name:
7-[(4-chlorophenyl)methylidene]-4,4-dimethyl-1-oxaspiro[2.4]heptane
InChI:
InChI=1S/C15H17ClO/c1-14(2)8-7-12(15(14)10-17-15)9-11-3-5-13(16)6-4-11/h3-6,9H,7-8,10H2,1-2H3
InChI Key:
WQCZGVIESRDDDT-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C=C1CCC(C21CO2)(C)C
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.097g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.75g/mol
Monoisotopic Mass:
248.097g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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