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1000-87-9 | 2,3-Pentadiene, 2,4-dimethyl-
CAS No: 1000-87-9 Catalog No: AG000088 MDL No:MFCD00060915
Product Description
Catalog Number:
AG000088
Chemical Name:
2,3-Pentadiene, 2,4-dimethyl-
CAS Number:
1000-87-9
Molecular Formula:
C7H12
Molecular Weight:
96.1702
MDL Number:
MFCD00060915
IUPAC Name:
2,4-dimethylpenta-2,3-diene
InChI:
InChI=1S/C7H12/c1-6(2)5-7(3)4/h1-4H3
InChI Key:
DZSNJASVIURWOG-UHFFFAOYSA-N
SMILES:
CC(=C=C(C)C)C
EC Number:
213-679-5
NSC Number:
526665
Properties
Complexity:
86.5
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.094g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.173g/mol
Monoisotopic Mass:
96.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Experimental assessment of the vibration-reorientation contribution to liquid crystal NMR dipolar couplings: the case of tetramethylallene dissolved in a nematic mesophase. | The journal of physical chemistry. B 20110929 |
| Metallaborane reactivity. A stoichiometric mechanism for the insertion of two alkynes into an iridaborane framework via a disposable molybdenum chaperone. | Journal of the American Chemical Society 20070321 |
| Direct episulfidation of alkenes and allenes with elemental sulfur and thiiranes as sulfur sources, catalyzed by molybdenum oxo complexes. | Journal of the American Chemical Society 20030402 |
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