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Home > Imidazoles > 1690842-72-8
1690842-72-8 | methyl 3-(1-methyl-1H-imidazol-5-yl)prop-2-ynoate
CAS No: 1690842-72-8 Catalog No: AG0191GQ MDL No:MFCD30485356
Product Description
Catalog Number:
AG0191GQ
Chemical Name:
methyl 3-(1-methyl-1H-imidazol-5-yl)prop-2-ynoate
CAS Number:
1690842-72-8
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
MDL Number:
MFCD30485356
IUPAC Name:
methyl 3-(3-methylimidazol-4-yl)prop-2-ynoate
InChI:
InChI=1S/C8H8N2O2/c1-10-6-9-5-7(10)3-4-8(11)12-2/h5-6H,1-2H3
InChI Key:
ZXQKSYMHKIPDAO-UHFFFAOYSA-N
SMILES:
COC(=O)C#Cc1cncn1C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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