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Home > Aldehydes > 913828-75-8
913828-75-8 | 4-ethynylthiophene-2-carbaldehyde
CAS No: 913828-75-8 Catalog No: AG003LCM MDL No:
Product Description
Catalog Number:
AG003LCM
Chemical Name:
4-ethynylthiophene-2-carbaldehyde
CAS Number:
913828-75-8
Molecular Formula:
C7H4OS
Molecular Weight:
136.1711
IUPAC Name:
4-ethynylthiophene-2-carbaldehyde
InChI:
InChI=1S/C7H4OS/c1-2-6-3-7(4-8)9-5-6/h1,3-5H
InChI Key:
KLJYDZXBWYSFCT-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)C#C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.998g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.168g/mol
Monoisotopic Mass:
135.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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