Home Other Building Blocks 4-(1,3-thiazol-5-yl)butanoic acid

4-(1,3-thiazol-5-yl)butanoic acid

CAS No.:
933686-34-1
Catalog Number:
AG01B9NR
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
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Product Description
Catalog Number:
AG01B9NR
Chemical Name:
4-(1,3-thiazol-5-yl)butanoic acid
CAS Number:
933686-34-1
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD22067002
IUPAC Name:
4-(1,3-thiazol-5-yl)butanoic acid
InChI:
InChI=1S/C7H9NO2S/c9-7(10)3-1-2-6-4-8-5-11-6/h4-5H,1-3H2,(H,9,10)
InChI Key:
XIBONOAQXUGJPI-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1cncs1
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.035g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.214g/mol
Monoisotopic Mass:
171.035g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties