Home Carboxys ethyl 4-formyl-1-methyl-1H-imidazole-5-carboxylate

ethyl 4-formyl-1-methyl-1H-imidazole-5-carboxylate

CAS No.:
2111324-86-6
Catalog Number:
AG01EMBF
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
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Product Description
Catalog Number:
AG01EMBF
Chemical Name:
ethyl 4-formyl-1-methyl-1H-imidazole-5-carboxylate
CAS Number:
2111324-86-6
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
MDL Number:
MFCD31667682
IUPAC Name:
ethyl 5-formyl-3-methylimidazole-4-carboxylate
InChI:
InChI=1S/C8H10N2O3/c1-3-13-8(12)7-6(4-11)9-5-10(7)2/h4-5H,3H2,1-2H3
InChI Key:
HQAYVMIXASNCOQ-UHFFFAOYSA-N
SMILES:
Cn1cnc(c1C(=O)OCC)C=O
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties