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1171124-65-4 | 1H-Imidazole-2-carboxylic acid, 5-ethyl-, ethyl ester
CAS No: 1171124-65-4 Catalog No: AG000DRA MDL No:MFCD20922133
Product Description
Catalog Number:
AG000DRA
Chemical Name:
1H-Imidazole-2-carboxylic acid, 5-ethyl-, ethyl ester
CAS Number:
1171124-65-4
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD20922133
IUPAC Name:
ethyl 5-ethyl-1H-imidazole-2-carboxylate
InChI:
InChI=1S/C8H12N2O2/c1-3-6-5-9-7(10-6)8(11)12-4-2/h5H,3-4H2,1-2H3,(H,9,10)
InChI Key:
QFBQZDDWPFZPSS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncc([nH]1)CC
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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