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25023-22-7 | Methyl 2-(1H-imidazol-1-yl)acetate
CAS No: 25023-22-7 Catalog No: AG00355I MDL No:MFCD11183411
Product Description
Catalog Number:
AG00355I
Chemical Name:
Methyl 2-(1H-imidazol-1-yl)acetate
CAS Number:
25023-22-7
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD11183411
IUPAC Name:
methyl 2-imidazol-1-ylacetate
InChI:
InChI=1S/C6H8N2O2/c1-10-6(9)4-8-3-2-7-5-8/h2-3,5H,4H2,1H3
InChI Key:
MENQOXBTQWXPJA-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1cncc1
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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