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31486-86-9 | Thieno[3,2-b]thiophene-2-carbaldehyde
CAS No: 31486-86-9 Catalog No: AG003US2 MDL No:MFCD01859924
Product Description
Catalog Number:
AG003US2
Chemical Name:
Thieno[3,2-b]thiophene-2-carbaldehyde
CAS Number:
31486-86-9
Molecular Formula:
C7H4OS2
Molecular Weight:
168.2361
MDL Number:
MFCD01859924
IUPAC Name:
thieno[3,2-b]thiophene-5-carbaldehyde
InChI:
InChI=1S/C7H4OS2/c8-4-5-3-7-6(10-5)1-2-9-7/h1-4H
InChI Key:
JKVPCDAKZCFJBU-UHFFFAOYSA-N
SMILES:
O=Cc1sc2c(c1)scc2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.97g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.228g/mol
Monoisotopic Mass:
167.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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