Home Other Building Blocks 4-(3-methylthiophen-2-yl)butanoic acid

4-(3-methylthiophen-2-yl)butanoic acid

CAS No.:
210097-89-5
Catalog Number:
AG01A1UO
Molecular Formula:
C9H12O2S
Molecular Weight:
184.2554
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Product Description
Catalog Number:
AG01A1UO
Chemical Name:
4-(3-methylthiophen-2-yl)butanoic acid
CAS Number:
210097-89-5
Molecular Formula:
C9H12O2S
Molecular Weight:
184.2554
MDL Number:
MFCD16057857
IUPAC Name:
4-(3-methylthiophen-2-yl)butanoic acid
InChI:
InChI=1S/C9H12O2S/c1-7-5-6-12-8(7)3-2-4-9(10)11/h5-6H,2-4H2,1H3,(H,10,11)
InChI Key:
NNFWSJKZFCQYAS-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1sccc1C
Properties
Complexity:
159  
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:
4  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties