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239065-60-2 | Ethyl 2-(2-methyl-1H-imidazol-1-yl)acetate
CAS No: 239065-60-2 Catalog No: AG003Q1G MDL No:MFCD03248721
Product Description
Catalog Number:
AG003Q1G
Chemical Name:
Ethyl 2-(2-methyl-1H-imidazol-1-yl)acetate
CAS Number:
239065-60-2
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD03248721
IUPAC Name:
ethyl 2-(2-methylimidazol-1-yl)acetate
InChI:
InChI=1S/C8H12N2O2/c1-3-12-8(11)6-10-5-4-9-7(10)2/h4-5H,3,6H2,1-2H3
InChI Key:
BELLWUHPOOKVCE-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1ccnc1C
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:
0
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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