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2060040-78-8 | 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole
CAS No: 2060040-78-8 Catalog No: AG01BR08 MDL No:MFCD30502162
Product Description
Catalog Number:
AG01BR08
Chemical Name:
2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole
CAS Number:
2060040-78-8
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD30502162
IUPAC Name:
2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole
InChI:
InChI=1S/C8H12N2O2/c1-8(11-4-5-12-8)6-7-9-2-3-10-7/h2-3H,4-6H2,1H3,(H,9,10)
InChI Key:
LIAAIOMJCMXDMY-UHFFFAOYSA-N
SMILES:
CC1(OCCO1)Cc1ncc[nH]1
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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