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148674-60-6 | 2-Thiophenepropanoic acid, α-cyano-
CAS No: 148674-60-6 Catalog No: AG001L42 MDL No:MFCD11593004
Product Description
Catalog Number:
AG001L42
Chemical Name:
2-Thiophenepropanoic acid, α-cyano-
CAS Number:
148674-60-6
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
MDL Number:
MFCD11593004
IUPAC Name:
2-cyano-3-thiophen-2-ylpropanoic acid
InChI:
InChI=1S/C8H7NO2S/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-3,6H,4H2,(H,10,11)
InChI Key:
SEDUNXLMTYIBOP-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)O)Cc1cccs1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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