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Home > Other Heterocycles > 670249-79-3
670249-79-3 | Spiro[4.4]nona-2,7-diene-1,6-dione, 3-phenyl-8-(2-thienyl)-
CAS No: 670249-79-3 Catalog No: AG005REE MDL No:
Product Description
Catalog Number:
AG005REE
Chemical Name:
Spiro[4.4]nona-2,7-diene-1,6-dione, 3-phenyl-8-(2-thienyl)-
CAS Number:
670249-79-3
Molecular Formula:
C19H14O2S
Molecular Weight:
306.3783
IUPAC Name:
7-phenyl-2-thiophen-2-ylspiro[4.4]nona-2,7-diene-4,9-dione
InChI:
InChI=1S/C19H14O2S/c20-17-9-14(13-5-2-1-3-6-13)11-19(17)12-15(10-18(19)21)16-7-4-8-22-16/h1-10H,11-12H2
InChI Key:
OXQOOGQRUVGGLP-UHFFFAOYSA-N
SMILES:
O=C1C=C(CC21CC(=CC2=O)c1cccs1)c1ccccc1
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.071g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.379g/mol
Monoisotopic Mass:
306.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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