Home Other Building Blocks 2-(1H-imidazol-4-yl)-2-methylpropanoic acid

2-(1H-imidazol-4-yl)-2-methylpropanoic acid

CAS No.:
731746-84-2
Catalog Number:
AG01A5PX
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
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Product Description
Catalog Number:
AG01A5PX
Chemical Name:
2-(1H-imidazol-4-yl)-2-methylpropanoic acid
CAS Number:
731746-84-2
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD20642079
IUPAC Name:
2-(1H-imidazol-5-yl)-2-methylpropanoic acid
InChI:
InChI=1S/C7H10N2O2/c1-7(2,6(10)11)5-3-8-4-9-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChI Key:
LORNKCPCLAVENK-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1nc[nH]c1)(C)C
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties