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87373-80-6

87373-80-6 | 1,3-Dioxolane, 2-(3-thietanyl)-

CAS No: 87373-80-6 Catalog No: AG004NU9 MDL No:

Product Description

Catalog Number:
AG004NU9
Chemical Name:
1,3-Dioxolane, 2-(3-thietanyl)-
CAS Number:
87373-80-6
Molecular Formula:
C6H10O2S
Molecular Weight:
146.2074
IUPAC Name:
2-(thietan-3-yl)-1,3-dioxolane
InChI:
InChI=1S/C6H10O2S/c1-2-8-6(7-1)5-3-9-4-5/h5-6H,1-4H2
InChI Key:
SMPDEBUSLCVOSR-UHFFFAOYSA-N
SMILES:
C1COC(O1)C1CSC1

Properties

Complexity:
97.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.04g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.204g/mol
Monoisotopic Mass:
146.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

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