Home Other Building Blocks 1H-Imidazole-2-propanoic acid, ethyl ester

1H-Imidazole-2-propanoic acid, ethyl ester

CAS No.:
172499-76-2
Catalog Number:
AG00HZKY
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
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Product Description
Catalog Number:
AG00HZKY
Chemical Name:
1H-Imidazole-2-propanoic acid, ethyl ester
CAS Number:
172499-76-2
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD20661662
IUPAC Name:
ethyl 3-(1H-imidazol-2-yl)propanoate
InChI:
InChI=1S/C8H12N2O2/c1-2-12-8(11)4-3-7-9-5-6-10-7/h5-6H,2-4H2,1H3,(H,9,10)
InChI Key:
KQIXNQRMDCPWIH-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1ncc[nH]1
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties