2-Methyl-2-cyclopenten-1-one - CAS 1120-73-6
Catalog: |
BB002866 |
Product Name: |
2-Methyl-2-cyclopenten-1-one |
CAS: |
1120-73-6 |
Synonyms: |
2-methylcyclopent-2-en-1-one |
IUPAC Name: | 2-methylcyclopent-2-en-1-one |
Description: | 2-Methyl-2-cyclopenten-1-one (CAS# 1120-73-6) is used in preparation for molecular characterization of the pyrolysis of biomass. |
Molecular Weight: | 96.13 |
Molecular Formula: | C6H8O |
Canonical SMILES: | CC1=CCCC1=O |
InChI: | InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h3H,2,4H2,1H3 |
InChI Key: | ZSBWUNDRDHVNJL-UHFFFAOYSA-N |
Boiling Point: | 157.5 °C at 760 mmHg |
Purity: | 95 % |
Density: | 0.996 g/cm3 |
Appearance: | Clear yellow liquid |
Storage: | 0-6 °C |
MDL: | MFCD00012275 |
LogP: | 1.29560 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22173925 | 20120301 | Structure elucidation of the diagnostic product ion at m/z 97 derived from androst-4-en-3-one-based steroids by ESI-CID and IRMPD spectroscopy | Journal of the American Society for Mass Spectrometry |
21838266 | 20110916 | Synthetic studies on dicyclopenta[a,d]cyclooctane terpenoids: construction of the core structure of fusicoccins and ophiobolins on the route involving a Wagner-Meerwein rearrangement | The Journal of organic chemistry |
21082852 | 20101217 | Construction of the tricyclic 5-7-6 scaffold of fungi-derived diterpenoids. Total synthesis of (±)-heptemerone G and an approach to Danishefsky's intermediate for guanacastepene A synthesis | The Journal of organic chemistry |
19655736 | 20090903 | Intramolecular cyclopropene-furan [2 + 4] cycloaddition followed by a cyclopropylcarbinyl rearrangement to synthesize the BCD rings of cortistatin A | Organic letters |
19603490 | 20090830 | Molecular turnover time of soil organic matter in particle-size fractions of an arable soil | Rapid communications in mass spectrometry : RCM |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 96.057514874 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 96.057514874 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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