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3199-44-8 | 3-(Diethoxymethyl)thiophene
CAS No: 3199-44-8 Catalog No: AG003USO MDL No:
Product Description
Catalog Number:
AG003USO
Chemical Name:
3-(Diethoxymethyl)thiophene
CAS Number:
3199-44-8
Molecular Formula:
C9H14O2S
Molecular Weight:
186.2713
IUPAC Name:
3-(diethoxymethyl)thiophene
InChI:
InChI=1S/C9H14O2S/c1-3-10-9(11-4-2)8-5-6-12-7-8/h5-7,9H,3-4H2,1-2H3
InChI Key:
VHXDNUQYRTTWTH-UHFFFAOYSA-N
SMILES:
CCOC(c1cscc1)OCC
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.071g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.269g/mol
Monoisotopic Mass:
186.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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