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85895-83-6 | 2-Thiophenecarboxaldehyde,3,5-dimethyl-
CAS No: 85895-83-6 Catalog No: AG004WV0 MDL No:
Product Description
Catalog Number:
AG004WV0
Chemical Name:
2-Thiophenecarboxaldehyde,3,5-dimethyl-
CAS Number:
85895-83-6
Molecular Formula:
C7H8OS
Molecular Weight:
140.2028
IUPAC Name:
3,5-dimethylthiophene-2-carbaldehyde
InChI:
InChI=1S/C7H8OS/c1-5-3-6(2)9-7(5)4-8/h3-4H,1-2H3
InChI Key:
NQWNJWZLWMCDOJ-UHFFFAOYSA-N
SMILES:
O=Cc1sc(cc1C)C
EC Number:
288-758-0
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:
2.2
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