Home Other Building Blocks 3-methyl-3-(thiophen-2-yl)butanoic acid

3-methyl-3-(thiophen-2-yl)butanoic acid

CAS No.:
937640-04-5
Catalog Number:
AG01AHCJ
Molecular Formula:
C9H12O2S
Molecular Weight:
184.2554
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Product Description
Catalog Number:
AG01AHCJ
Chemical Name:
3-methyl-3-(thiophen-2-yl)butanoic acid
CAS Number:
937640-04-5
Molecular Formula:
C9H12O2S
Molecular Weight:
184.2554
MDL Number:
MFCD09837229
IUPAC Name:
3-methyl-3-thiophen-2-ylbutanoic acid
InChI:
InChI=1S/C9H12O2S/c1-9(2,6-8(10)11)7-4-3-5-12-7/h3-5H,6H2,1-2H3,(H,10,11)
InChI Key:
GYQSAQFVAGSXDW-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1cccs1)(C)C
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.056g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.253g/mol
Monoisotopic Mass:
184.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties