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Home > Other Heterocycles > 124442-15-5
124442-15-5 | 1,6-Dioxaspiro[4.4]non-3-ene, 2-(2-thienylmethylene)-, (2Z)-
CAS No: 124442-15-5 Catalog No: AG000M1I MDL No:
Product Description
Catalog Number:
AG000M1I
Chemical Name:
1,6-Dioxaspiro[4.4]non-3-ene, 2-(2-thienylmethylene)-, (2Z)-
CAS Number:
124442-15-5
Molecular Formula:
C12H12O2S
Molecular Weight:
220.2875
IUPAC Name:
2-(thiophen-2-ylmethylidene)-1,6-dioxaspiro[4.4]non-3-ene
InChI:
InChI=1S/C12H12O2S/c1-3-11(15-8-1)9-10-4-6-12(14-10)5-2-7-13-12/h1,3-4,6,8-9H,2,5,7H2
InChI Key:
LLZQYUSTIRVCPF-UHFFFAOYSA-N
SMILES:
C1COC2(C1)C=C/C(=C/c1cccs1)/O2
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.286g/mol
Monoisotopic Mass:
220.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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