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957487-03-5 | 3-Ethoxy-5,5-dimethylcyclohex-2-en-1-iminium iodide
CAS No: 957487-03-5 Catalog No: AG01F06U MDL No:
Product Description
Catalog Number:
AG01F06U
Chemical Name:
3-Ethoxy-5,5-dimethylcyclohex-2-en-1-iminium iodide
CAS Number:
957487-03-5
Molecular Formula:
C10H18INO
Molecular Weight:
295.1605
IUPAC Name:
(3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium;iodide
InChI:
InChI=1S/C10H17NO.HI/c1-4-12-9-5-8(11)6-10(2,3)7-9;/h5,11H,4,6-7H2,1-3H3;1H
InChI Key:
SHNUONSIHQBFRW-UHFFFAOYSA-N
SMILES:
CCOC1=CC(=[NH2+])CC(C1)(C)C.[I-]
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.164g/mol
Monoisotopic Mass:
295.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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