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162959-94-6 | Cyclopropanecarboxylic acid, 1-(2-thienyl)-
CAS No: 162959-94-6 Catalog No: AG001TKG MDL No:MFCD16622241
Product Description
Catalog Number:
AG001TKG
Chemical Name:
Cyclopropanecarboxylic acid, 1-(2-thienyl)-
CAS Number:
162959-94-6
Molecular Formula:
C8H8O2S
Molecular Weight:
168.2129
MDL Number:
MFCD16622241
IUPAC Name:
1-thiophen-2-ylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C8H8O2S/c9-7(10)8(3-4-8)6-2-1-5-11-6/h1-2,5H,3-4H2,(H,9,10)
InChI Key:
JZGVANXRGMMXGJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CC1)c1cccs1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.21g/mol
Monoisotopic Mass:
168.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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