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696-30-0 | 4-Isopropylpyridine
CAS No: 696-30-0 Catalog No: AG003LLT MDL No:MFCD00039719
Product Description
Catalog Number:
AG003LLT
Chemical Name:
4-Isopropylpyridine
CAS Number:
696-30-0
Molecular Formula:
C8H11N
Molecular Weight:
121.1796
MDL Number:
MFCD00039719
IUPAC Name:
4-propan-2-ylpyridine
InChI:
InChI=1S/C8H11N/c1-7(2)8-3-5-9-6-4-8/h3-7H,1-2H3
InChI Key:
FRGXNJWEDDQLFH-UHFFFAOYSA-N
SMILES:
CC(c1ccncc1)C
EC Number:
211-794-5
UNII:
NC9488R41O
Properties
Complexity:
72.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.183g/mol
Monoisotopic Mass:
121.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| 4-isopropylpyridine hydroperoxide crystals resulting from the aerobic oxidation of a 4-isopropylpyridine/4-propylpyridine mixture. | The journal of physical chemistry. B 20090409 |
| A decanuclear oxomolybdenum(V,VI) cluster with 4-isopropylpyridine. | Acta crystallographica. Section C, Crystal structure communications 20010301 |
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