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78519-02-5 | 2-Thiophenecarboxaldehyde, 3,4,5-trimethyl-
CAS No: 78519-02-5 Catalog No: AG008ML1 MDL No:
Product Description
Catalog Number:
AG008ML1
Chemical Name:
2-Thiophenecarboxaldehyde, 3,4,5-trimethyl-
CAS Number:
78519-02-5
Molecular Formula:
C8H10OS
Molecular Weight:
154.2294
IUPAC Name:
3,4,5-trimethylthiophene-2-carbaldehyde
InChI:
InChI=1S/C8H10OS/c1-5-6(2)8(4-9)10-7(5)3/h4H,1-3H3
InChI Key:
BSGZLMFTJVSISJ-UHFFFAOYSA-N
SMILES:
O=Cc1sc(c(c1C)C)C
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.045g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.227g/mol
Monoisotopic Mass:
154.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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