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197574-43-9 | 1H-Imidazole-5-carboxylic acid, 4-ethyl-, methyl ester
CAS No: 197574-43-9 Catalog No: AG002AWG MDL No:MFCD13174860
Product Description
Catalog Number:
AG002AWG
Chemical Name:
1H-Imidazole-5-carboxylic acid, 4-ethyl-, methyl ester
CAS Number:
197574-43-9
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD13174860
IUPAC Name:
methyl 5-ethyl-1H-imidazole-4-carboxylate
InChI:
InChI=1S/C7H10N2O2/c1-3-5-6(7(10)11-2)9-4-8-5/h4H,3H2,1-2H3,(H,8,9)
InChI Key:
VNGWRKLREBFVDD-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]cnc1CC
Properties
Complexity:
149
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:
1
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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