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Home > Imidazoles > 1594795-48-8
1594795-48-8 | methyl 3-(1-ethyl-1H-imidazol-2-yl)prop-2-ynoate
CAS No: 1594795-48-8 Catalog No: AG01DRF5 MDL No:MFCD30086776
Product Description
Catalog Number:
AG01DRF5
Chemical Name:
methyl 3-(1-ethyl-1H-imidazol-2-yl)prop-2-ynoate
CAS Number:
1594795-48-8
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
MDL Number:
MFCD30086776
IUPAC Name:
methyl 3-(1-ethylimidazol-2-yl)prop-2-ynoate
InChI:
InChI=1S/C9H10N2O2/c1-3-11-7-6-10-8(11)4-5-9(12)13-2/h6-7H,3H2,1-2H3
InChI Key:
MCGQYLKWJYBSOG-UHFFFAOYSA-N
SMILES:
COC(=O)C#Cc1nccn1CC
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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