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1622-54-4 | Benzoic acid, 2-[2-(2-thienyl)ethyl]-
CAS No: 1622-54-4 Catalog No: AG001SV8 MDL No:MFCD00101206
Product Description
Catalog Number:
AG001SV8
Chemical Name:
Benzoic acid, 2-[2-(2-thienyl)ethyl]-
CAS Number:
1622-54-4
Molecular Formula:
C13H12O2S
Molecular Weight:
232.2982
MDL Number:
MFCD00101206
IUPAC Name:
2-(2-thiophen-2-ylethyl)benzoic acid
InChI:
InChI=1S/C13H12O2S/c14-13(15)12-6-2-1-4-10(12)7-8-11-5-3-9-16-11/h1-6,9H,7-8H2,(H,14,15)
InChI Key:
BYSDXOIAAYZTBJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1CCc1cccs1
EC Number:
216-595-7
Properties
Complexity:
242
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:
1
Isotope Atom Count:
0
Molecular Weight:
232.297g/mol
Monoisotopic Mass:
232.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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