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16693-98-4 | Thiophene-2-ol, 2-benzoate
CAS No: 16693-98-4 Catalog No: AG001X0J MDL No:
Product Description
Catalog Number:
AG001X0J
Chemical Name:
Thiophene-2-ol, 2-benzoate
CAS Number:
16693-98-4
Molecular Formula:
C11H8O2S
Molecular Weight:
204.2450
IUPAC Name:
thiophen-2-yl benzoate
InChI:
InChI=1S/C11H8O2S/c12-11(9-5-2-1-3-6-9)13-10-7-4-8-14-10/h1-8H
InChI Key:
DLDNGXJAIMHIKC-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Oc1cccs1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.243g/mol
Monoisotopic Mass:
204.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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