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872-56-0 | ISOPROPYLCYCLOBUTANE
CAS No: 872-56-0 Catalog No: AG004J8B MDL No:MFCD00061038
Product Description
Catalog Number:
AG004J8B
Chemical Name:
ISOPROPYLCYCLOBUTANE
CAS Number:
872-56-0
Molecular Formula:
C7H14
Molecular Weight:
98.1861
MDL Number:
MFCD00061038
IUPAC Name:
propan-2-ylcyclobutane
InChI:
InChI=1S/C7H14/c1-6(2)7-4-3-5-7/h6-7H,3-5H2,1-2H3
InChI Key:
RFHQRRJFJJCQDJ-UHFFFAOYSA-N
SMILES:
CC(C1CCC1)C
Properties
Complexity:
51.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.11g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
98.189g/mol
Monoisotopic Mass:
98.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Ring-opening radical clock reactions: many density functionals have difficulty keeping time. | Organic & biomolecular chemistry 20110507 |
| Structural studies of nonclassical cyclobutylmethyl cations by the ab initio method. | The Journal of organic chemistry 20070413 |
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