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90926-28-6

90926-28-6 | pentyl 2-thiophenecarboxylate

CAS No: 90926-28-6 Catalog No: AG006GFA MDL No:

Product Description

Catalog Number:
AG006GFA
Chemical Name:
pentyl 2-thiophenecarboxylate
CAS Number:
90926-28-6
Molecular Formula:
C10H14O2S
Molecular Weight:
198.2820
IUPAC Name:
pentyl thiophene-2-carboxylate
InChI:
InChI=1S/C10H14O2S/c1-2-3-4-7-12-10(11)9-6-5-8-13-9/h5-6,8H,2-4,7H2,1H3
InChI Key:
JXFYSKBUOFPGIW-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)c1cccs1

Properties

Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.071g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.28g/mol
Monoisotopic Mass:
198.071g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

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