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6030-36-0 | 4-Methylthiophene-2-carbaldehyde
CAS No: 6030-36-0 Catalog No: AG003LSZ MDL No:MFCD00159561
Product Description
Catalog Number:
AG003LSZ
Chemical Name:
4-Methylthiophene-2-carbaldehyde
CAS Number:
6030-36-0
Molecular Formula:
C6H6OS
Molecular Weight:
126.1762
MDL Number:
MFCD00159561
IUPAC Name:
4-methylthiophene-2-carbaldehyde
InChI:
InChI=1S/C6H6OS/c1-5-2-6(3-7)8-4-5/h2-4H,1H3
InChI Key:
HVXCGIPRXBJIRK-UHFFFAOYSA-N
SMILES:
Cc1cc(sc1)C=O
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:
1.8
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