Home Other Building Blocks 2-(dimethyl-1,2-oxazol-4-yl)propanoic acid

2-(dimethyl-1,2-oxazol-4-yl)propanoic acid

CAS No.:
897008-27-4
Catalog Number:
AG01A8N3
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
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Product Description
Catalog Number:
AG01A8N3
Chemical Name:
2-(dimethyl-1,2-oxazol-4-yl)propanoic acid
CAS Number:
897008-27-4
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
MDL Number:
MFCD08701351
IUPAC Name:
2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoic acid
InChI:
InChI=1S/C8H11NO3/c1-4(8(10)11)7-5(2)9-12-6(7)3/h4H,1-3H3,(H,10,11)
InChI Key:
AQRVUMXOCHIWOV-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1c(C)noc1C)C
Properties
Complexity:
183  
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:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties