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70644-46-1 | 4-(3-CYCLOHEXEN-1-YL)PYRIDINE, 99
CAS No: 70644-46-1 Catalog No: AG00FMPX MDL No:
Product Description
Catalog Number:
AG00FMPX
Chemical Name:
4-(3-CYCLOHEXEN-1-YL)PYRIDINE, 99
CAS Number:
70644-46-1
IUPAC Name:
4-cyclohex-3-en-1-ylpyridine
InChI:
InChI=1S/C11H13N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-2,6-10H,3-5H2
InChI Key:
USWHHVUCKNMIRS-UHFFFAOYSA-N
EC Number:
274-715-3
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Experimental and theoretical NMR study of 4-(3-cyclohexen-1-yl)pyridine. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20080401 |
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