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Home > Imidazoles > 1696161-22-4
1696161-22-4 | 3-(1-methyl-1H-imidazol-4-yl)prop-2-ynoic acid
CAS No: 1696161-22-4 Catalog No: AG00KHIV MDL No:MFCD30338636
Product Description
Catalog Number:
AG00KHIV
Chemical Name:
3-(1-methyl-1H-imidazol-4-yl)prop-2-ynoic acid
CAS Number:
1696161-22-4
Molecular Formula:
C7H6N2O2
Molecular Weight:
150.1347
MDL Number:
MFCD30338636
IUPAC Name:
3-(1-methylimidazol-4-yl)prop-2-ynoic acid
InChI:
InChI=1S/C7H6N2O2/c1-9-4-6(8-5-9)2-3-7(10)11/h4-5H,1H3,(H,10,11)
InChI Key:
PXRGCPFXAQUOEE-UHFFFAOYSA-N
SMILES:
Cn1cc(nc1)C#CC(=O)O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.137g/mol
Monoisotopic Mass:
150.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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