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932-94-5 | 5-(methylsulfanyl)furan-2-carbaldehyde
CAS No: 932-94-5 Catalog No: AG01C27N MDL No:MFCD18378742
Product Description
Catalog Number:
AG01C27N
Chemical Name:
5-(methylsulfanyl)furan-2-carbaldehyde
CAS Number:
932-94-5
Molecular Formula:
C6H6O2S
Molecular Weight:
142.1756
MDL Number:
MFCD18378742
IUPAC Name:
5-methylsulfanylfuran-2-carbaldehyde
InChI:
InChI=1S/C6H6O2S/c1-9-6-3-2-5(4-7)8-6/h2-4H,1H3
InChI Key:
KDICZNRVQKKLFT-UHFFFAOYSA-N
SMILES:
CSc1ccc(o1)C=O
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.009g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.172g/mol
Monoisotopic Mass:
142.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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