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1527929-51-6 | 2,2-DIETHOXY-1-(1-METHYL-1H-IMIDAZOL-2-YL)ETHAN-1-ONE
CAS No: 1527929-51-6 Catalog No: AG01EJV0 MDL No:MFCD21938105
Product Description
Catalog Number:
AG01EJV0
Chemical Name:
2,2-DIETHOXY-1-(1-METHYL-1H-IMIDAZOL-2-YL)ETHAN-1-ONE
CAS Number:
1527929-51-6
Molecular Formula:
C10H16N2O3
Molecular Weight:
212.2456
MDL Number:
MFCD21938105
IUPAC Name:
2,2-diethoxy-1-(1-methylimidazol-2-yl)ethanone
InChI:
InChI=1S/C10H16N2O3/c1-4-14-10(15-5-2)8(13)9-11-6-7-12(9)3/h6-7,10H,4-5H2,1-3H3
InChI Key:
DVAYTTVHUGQHTO-UHFFFAOYSA-N
SMILES:
CCOC(C(=O)c1nccn1C)OCC
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.249g/mol
Monoisotopic Mass:
212.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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