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Home > Other Heterocycles > 1564-41-6
1564-41-6 | 1-Oxa-4-thiaspiro[4.4]nonan-2-one
CAS No: 1564-41-6 Catalog No: AG001OQ3 MDL No:
Product Description
Catalog Number:
AG001OQ3
Chemical Name:
1-Oxa-4-thiaspiro[4.4]nonan-2-one
CAS Number:
1564-41-6
Molecular Formula:
C7H10O2S
Molecular Weight:
158.2181
IUPAC Name:
1-oxa-4-thiaspiro[4.4]nonan-2-one
InChI:
InChI=1S/C7H10O2S/c8-6-5-10-7(9-6)3-1-2-4-7/h1-5H2
InChI Key:
CKJBVPURGNUNGY-UHFFFAOYSA-N
SMILES:
O=C1CSC2(O1)CCCC2
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.04g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.215g/mol
Monoisotopic Mass:
158.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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