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29421-72-5 | 3-Thiophenecarboxaldehyde, 5-methyl-
CAS No: 29421-72-5 Catalog No: AG002YCK MDL No:MFCD07792887
Product Description
Catalog Number:
AG002YCK
Chemical Name:
3-Thiophenecarboxaldehyde, 5-methyl-
CAS Number:
29421-72-5
Molecular Formula:
C6H6OS
Molecular Weight:
126.1762
MDL Number:
MFCD07792887
IUPAC Name:
5-methylthiophene-3-carbaldehyde
InChI:
InChI=1S/C6H6OS/c1-5-2-6(3-7)4-8-5/h2-4H,1H3
InChI Key:
XITNVIKTFZONKR-UHFFFAOYSA-N
SMILES:
O=Cc1csc(c1)C
Properties
Complexity:
92.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.014g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.173g/mol
Monoisotopic Mass:
126.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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