2-Thiophenebutanoic acid, methyl ester


Chemical Name: 2-Thiophenebutanoic acid, methyl ester
CAS Number: 20828-66-4
Product Number: AG002JMJ(AGN-PC-0JMRJW)
Synonyms:
MDL No: MFCD07687093
Molecular Formula: C9H12O2S
Molecular Weight: 184.2554

Identification/Properties


Computed Properties
Molecular Weight:
184.253g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
184.056g/mol
Monoisotopic Mass:
184.056g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
148
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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