Home Other Building Blocks 4-(5-methyl-1,3-oxazol-2-yl)butanoic acid

4-(5-methyl-1,3-oxazol-2-yl)butanoic acid

CAS No.:
1368714-42-4
Catalog Number:
AG01C1A6
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
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Product Description
Catalog Number:
AG01C1A6
Chemical Name:
4-(5-methyl-1,3-oxazol-2-yl)butanoic acid
CAS Number:
1368714-42-4
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
MDL Number:
MFCD21909379
IUPAC Name:
4-(5-methyl-1,3-oxazol-2-yl)butanoic acid
InChI:
InChI=1S/C8H11NO3/c1-6-5-9-7(12-6)3-2-4-8(10)11/h5H,2-4H2,1H3,(H,10,11)
InChI Key:
TWDPYVLIFPFCNO-UHFFFAOYSA-N
SMILES:
Cc1cnc(o1)CCCC(=O)O
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties