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Home > Imidazoles > 1011398-11-0
1011398-11-0 | ethyl 2-(1H-imidazol-1-yl)butanoate
CAS No: 1011398-11-0 Catalog No: AG00H9FP MDL No:MFCD09473482
Product Description
Catalog Number:
AG00H9FP
Chemical Name:
ethyl 2-(1H-imidazol-1-yl)butanoate
CAS Number:
1011398-11-0
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD09473482
IUPAC Name:
ethyl 2-imidazol-1-ylbutanoate
InChI:
InChI=1S/C9H14N2O2/c1-3-8(9(12)13-4-2)11-6-5-10-7-11/h5-8H,3-4H2,1-2H3
InChI Key:
RHAAIBCLVLGQBU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(n1cncc1)CC
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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