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Home > Imidazoles > 91860-02-5
91860-02-5 | 2-Propenoic acid, 3-(1H-imidazol-1-yl)-, methyl ester
CAS No: 91860-02-5 Catalog No: AG006CW0 MDL No:
Product Description
Catalog Number:
AG006CW0
Chemical Name:
2-Propenoic acid, 3-(1H-imidazol-1-yl)-, methyl ester
CAS Number:
91860-02-5
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
IUPAC Name:
methyl 3-imidazol-1-ylprop-2-enoate
InChI:
InChI=1S/C7H8N2O2/c1-11-7(10)2-4-9-5-3-8-6-9/h2-6H,1H3
InChI Key:
YEWCVHGXMIELRE-UHFFFAOYSA-N
SMILES:
COC(=O)C=Cn1cncc1
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.1
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