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Home > Other Heterocycles > 77199-33-8
77199-33-8 | 1-Oxaspiro[4.5]dec-3-en-2-one, 4-(phenylthio)-
CAS No: 77199-33-8 Catalog No: AG00557C MDL No:
Product Description
Catalog Number:
AG00557C
Chemical Name:
1-Oxaspiro[4.5]dec-3-en-2-one, 4-(phenylthio)-
CAS Number:
77199-33-8
Molecular Formula:
C15H16O2S
Molecular Weight:
260.3513
IUPAC Name:
4-phenylsulfanyl-1-oxaspiro[4.5]dec-3-en-2-one
InChI:
InChI=1S/C15H16O2S/c16-14-11-13(18-12-7-3-1-4-8-12)15(17-14)9-5-2-6-10-15/h1,3-4,7-8,11H,2,5-6,9-10H2
InChI Key:
GYGWDGCHVQMFDP-UHFFFAOYSA-N
SMILES:
O=C1C=C(C2(O1)CCCCC2)Sc1ccccc1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.087g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.351g/mol
Monoisotopic Mass:
260.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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