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830319-27-2 | 1,3-Dioxolane-2-thione, 4-[(2-methoxyphenoxy)methyl]-
CAS No: 830319-27-2 Catalog No: AG004YBT MDL No:
Product Description
Catalog Number:
AG004YBT
Chemical Name:
1,3-Dioxolane-2-thione, 4-[(2-methoxyphenoxy)methyl]-
CAS Number:
830319-27-2
Molecular Formula:
C11H12O4S
Molecular Weight:
240.2756
IUPAC Name:
4-[(2-methoxyphenoxy)methyl]-1,3-dioxolane-2-thione
InChI:
InChI=1S/C11H12O4S/c1-12-9-4-2-3-5-10(9)13-6-8-7-14-11(16)15-8/h2-5,8H,6-7H2,1H3
InChI Key:
DJJNIKNJPXPECF-UHFFFAOYSA-N
SMILES:
COc1ccccc1OCC1COC(=S)O1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.273g/mol
Monoisotopic Mass:
240.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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