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73792-02-6 | 2-Thiophenecarboxaldehyde, 5-octyl-
CAS No: 73792-02-6 Catalog No: AG005X3L MDL No:
Product Description
Catalog Number:
AG005X3L
Chemical Name:
2-Thiophenecarboxaldehyde, 5-octyl-
CAS Number:
73792-02-6
Molecular Formula:
C13H20OS
Molecular Weight:
224.3623
IUPAC Name:
5-octylthiophene-2-carbaldehyde
InChI:
InChI=1S/C13H20OS/c1-2-3-4-5-6-7-8-12-9-10-13(11-14)15-12/h9-11H,2-8H2,1H3
InChI Key:
AYLATYPSOIBJDE-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(s1)C=O
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.123g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.362g/mol
Monoisotopic Mass:
224.123g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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