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Home > Imidazoles > 798571-50-3
798571-50-3 | Carbonic acid, 2-(1H-imidazol-1-yl)ethyl methyl ester
CAS No: 798571-50-3 Catalog No: AG005FWC MDL No:
Product Description
Catalog Number:
AG005FWC
Chemical Name:
Carbonic acid, 2-(1H-imidazol-1-yl)ethyl methyl ester
CAS Number:
798571-50-3
Molecular Formula:
C7H10N2O3
Molecular Weight:
170.1659
IUPAC Name:
2-imidazol-1-ylethyl methyl carbonate
InChI:
InChI=1S/C7H10N2O3/c1-11-7(10)12-5-4-9-3-2-8-6-9/h2-3,6H,4-5H2,1H3
InChI Key:
KAOLBFIMVUSZGF-UHFFFAOYSA-N
SMILES:
COC(=O)OCCn1cncc1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.168g/mol
Monoisotopic Mass:
170.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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