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19282-39-4 | 2-Thiophenecarboxylic acid, 5-phenyl-, ethyl ester
CAS No: 19282-39-4 Catalog No: AG002GDG MDL No:MFCD01860759
Product Description
Catalog Number:
AG002GDG
Chemical Name:
2-Thiophenecarboxylic acid, 5-phenyl-, ethyl ester
CAS Number:
19282-39-4
Molecular Formula:
C13H12O2S
Molecular Weight:
232.2982
MDL Number:
MFCD01860759
IUPAC Name:
ethyl 5-phenylthiophene-2-carboxylate
InChI:
InChI=1S/C13H12O2S/c1-2-15-13(14)12-9-8-11(16-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChI Key:
UXNYFCYTHBUYNK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(s1)c1ccccc1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.297g/mol
Monoisotopic Mass:
232.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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