Home Carboxys sodium 1-(prop-2-en-1-yl)-1H-imidazole-2-carboxylate

sodium 1-(prop-2-en-1-yl)-1H-imidazole-2-carboxylate

CAS No.:
1172703-11-5
Catalog Number:
AG019U9Z
Molecular Formula:
C7H7N2NaO2
Molecular Weight:
174.1325
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Product Description
Catalog Number:
AG019U9Z
Chemical Name:
sodium 1-(prop-2-en-1-yl)-1H-imidazole-2-carboxylate
CAS Number:
1172703-11-5
Molecular Formula:
C7H7N2NaO2
Molecular Weight:
174.1325
MDL Number:
MFCD11839750
IUPAC Name:
sodium;1-prop-2-enylimidazole-2-carboxylate
InChI:
InChI=1S/C7H8N2O2.Na/c1-2-4-9-5-3-8-6(9)7(10)11;/h2-3,5H,1,4H2,(H,10,11);/q;+1/p-1
InChI Key:
ITJLEYCDAOYKES-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1nccn1CC=C.[Na+]
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.041g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.135g/mol
Monoisotopic Mass:
174.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties