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Home > Imidazoles > 1876624-65-5
1876624-65-5 | 3-(1-ethyl-1H-imidazol-4-yl)prop-2-ynoic acid
CAS No: 1876624-65-5 Catalog No: AG01DRGP MDL No:MFCD29926238
Product Description
Catalog Number:
AG01DRGP
Chemical Name:
3-(1-ethyl-1H-imidazol-4-yl)prop-2-ynoic acid
CAS Number:
1876624-65-5
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
MDL Number:
MFCD29926238
IUPAC Name:
3-(1-ethylimidazol-4-yl)prop-2-ynoic acid
InChI:
InChI=1S/C8H8N2O2/c1-2-10-5-7(9-6-10)3-4-8(11)12/h5-6H,2H2,1H3,(H,11,12)
InChI Key:
PKHYZNJNMCDXBT-UHFFFAOYSA-N
SMILES:
CCn1cc(nc1)C#CC(=O)O
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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