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Home > Aldehydes > 113772-16-0
113772-16-0 | 3-Thiophenecarboxaldehyde, 2,5-dihydro-
CAS No: 113772-16-0 Catalog No: AG0009ME MDL No:MFCD06375933
Product Description
Catalog Number:
AG0009ME
Chemical Name:
3-Thiophenecarboxaldehyde, 2,5-dihydro-
CAS Number:
113772-16-0
Molecular Formula:
C5H6OS
Molecular Weight:
114.1655
MDL Number:
MFCD06375933
IUPAC Name:
2,5-dihydrothiophene-3-carbaldehyde
InChI:
InChI=1S/C5H6OS/c6-3-5-1-2-7-4-5/h1,3H,2,4H2
InChI Key:
PZWOFHNNNQBUOF-UHFFFAOYSA-N
SMILES:
C1SCC=C1C=O
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.014g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.162g/mol
Monoisotopic Mass:
114.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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