Home Aldehydes 113772-16-0
113772-16-0,MFCD06375933
Catalog No.:AA0009JM
113772-16-0 | 3-Thiophenecarboxaldehyde, 2,5-dihydro-
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Technical Information
Catalog Number:
AA0009JM
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
Computed 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  

Synonyms
 
2,5-dihydrothiophene-3-carbaldehyde 
113772-16-0 
AC1M7942 
ZINC3346456 
2331AA 
SBB052264 
AKOS015898725 
MCULE-9591036145 
NE38088 
3-Thiophenecarboxaldehyde, 2,5-dihydro- 
AJ-44922 
RT-006843 
3-Thiophenecarboxaldehyde,2,5-dihydro- 
FT-0691456 
EN300-11756 
I09-1988 
C5H6OS 
ZINC03346456 
CID2463121 
2,5-dihydrothiophene-3-carboxaldehyde 
2,5-Dihydro-3-thiophenecarboxaldehyde 
ACMC-1BVPO 
AC1Q6PWL 
SCHEMBL619486 
CTK4A8433 
DTXSID00368753 
Literature
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