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Home > Imidazoles > 1855741-19-3
1855741-19-3 | ethyl 3-(1-ethyl-1H-imidazol-4-yl)prop-2-ynoate
CAS No: 1855741-19-3 Catalog No: AG01DRDL MDL No:MFCD30222837
Product Description
Catalog Number:
AG01DRDL
Chemical Name:
ethyl 3-(1-ethyl-1H-imidazol-4-yl)prop-2-ynoate
CAS Number:
1855741-19-3
Molecular Formula:
C10H12N2O2
Molecular Weight:
192.2145
MDL Number:
MFCD30222837
IUPAC Name:
ethyl 3-(1-ethylimidazol-4-yl)prop-2-ynoate
InChI:
InChI=1S/C10H12N2O2/c1-3-12-7-9(11-8-12)5-6-10(13)14-4-2/h7-8H,3-4H2,1-2H3
InChI Key:
AZYZNRPZIUYNOK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C#Cc1ncn(c1)CC
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.218g/mol
Monoisotopic Mass:
192.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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