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30187-23-6 | 4,5-dimethylthiophene-3-carbaldehyde
CAS No: 30187-23-6 Catalog No: AG01C0CO MDL No:MFCD24675292
Product Description
Catalog Number:
AG01C0CO
Chemical Name:
4,5-dimethylthiophene-3-carbaldehyde
CAS Number:
30187-23-6
Molecular Formula:
C7H8OS
Molecular Weight:
140.2028
MDL Number:
MFCD24675292
IUPAC Name:
4,5-dimethylthiophene-3-carbaldehyde
InChI:
InChI=1S/C7H8OS/c1-5-6(2)9-4-7(5)3-8/h3-4H,1-2H3
InChI Key:
QZBILYRKOIDVSF-UHFFFAOYSA-N
SMILES:
O=Cc1csc(c1C)C
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.03g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.2g/mol
Monoisotopic Mass:
140.03g/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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