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1000-86-8 | 1,3-Pentadiene, 2,4-dimethyl-
CAS No: 1000-86-8 Catalog No: AG000089 MDL No:MFCD00008903
Product Description
Catalog Number:
AG000089
Chemical Name:
1,3-Pentadiene, 2,4-dimethyl-
CAS Number:
1000-86-8
Molecular Formula:
C7H12
Molecular Weight:
96.1702
MDL Number:
MFCD00008903
IUPAC Name:
2,4-dimethylpenta-1,3-diene
InChI:
InChI=1S/C7H12/c1-6(2)5-7(3)4/h5H,1H2,2-4H3
InChI Key:
CMSUNVGIWAFNBG-UHFFFAOYSA-N
SMILES:
CC(=CC(=C)C)C
EC Number:
213-677-4
UNII:
6CJ16Y4NXU
NSC Number:
123451
Properties
Complexity:
92.6
Compound Is Canonicalized:
Yes
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:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Study of the soret effect in hydrocarbon chain/aromatic compound mixtures. | The journal of physical chemistry. B 20091008 |
| 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 |
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