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251-37-6 | Thieno[3,4-d]-1,3-dioxole
CAS No: 251-37-6 Catalog No: AG002QGV MDL No:
Product Description
Catalog Number:
AG002QGV
Chemical Name:
Thieno[3,4-d]-1,3-dioxole
CAS Number:
251-37-6
Molecular Formula:
C5H4O2S
Molecular Weight:
128.1491
IUPAC Name:
thieno[3,4-d][1,3]dioxole
InChI:
InChI=1S/C5H4O2S/c1-4-5(2-8-1)7-3-6-4/h1-2H,3H2
InChI Key:
AVBCFBRGFCGJKX-UHFFFAOYSA-N
SMILES:
C1Oc2c(O1)csc2
Properties
Complexity:
86.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.993g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.145g/mol
Monoisotopic Mass:
127.993g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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