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1757-42-2 | Cyclopentanone, 3-methyl-
CAS No: 1757-42-2 Catalog No: AG00214Y MDL No:MFCD00001416
Product Description
Catalog Number:
AG00214Y
Chemical Name:
Cyclopentanone, 3-methyl-
CAS Number:
1757-42-2
Molecular Formula:
C6H10O
Molecular Weight:
98.1430
MDL Number:
MFCD00001416
IUPAC Name:
3-methylcyclopentan-1-one
InChI:
InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3
InChI Key:
AOKRXIIIYJGNNU-UHFFFAOYSA-N
SMILES:
CC1CCC(=O)C1
EC Number:
217-148-9
NSC Number:
25212
Properties
Complexity:
86.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.073g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
98.145g/mol
Monoisotopic Mass:
98.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Laser mass spectrometry with circularly polarized light: two-photon circular dichroism. | Physical chemistry chemical physics : PCCP 20120914 |
| Analysis of chirality by femtosecond laser ionization mass spectrometry. | Chirality 20120901 |
| Chiral distinction by ultrashort laser pulses: electron wavepacket dynamics incorporating magnetic interactions. | The journal of physical chemistry. A 20111222 |
| Bioreduction of α,β-unsaturated ketones and aldehydes by non-conventional yeast (NCY) whole-cells. | Bioresource technology 20110301 |
| Circular dichroism in ion yields employing femtosecond laser ionization-the role of laser pulse duration. | Physical chemistry chemical physics : PCCP 20110214 |
| Theory for vibrationally resolved two-photon circular dichroism spectra. Application to (R)-(+)-3-methylcyclopentanone. | The journal of physical chemistry. A 20090423 |
| Total syntheses of (+/-)-axamide-1 and (+/-)-axisonitrile-1 via 6-Exo-dig radical cyclization. | The Journal of organic chemistry 20090306 |
| Vibronically resolved electronic circular dichroism spectra of (R)-(+)-3-methylcyclopentanone: a theoretical study. | The journal of physical chemistry. A 20081204 |
| Ab initio study of the one- and two-photon circular dichroism of R-(+)-3-methyl-cyclopentanone. | The Journal of chemical physics 20080428 |
| Spectroscopic and theoretical investigation of (R)-3-methylcyclopentanone. The effect of solvent and temperature on the distribution of conformers. | The journal of physical chemistry. A 20070329 |
| Linear and nonlinear circular dichroism of R-(+)-3-methylcyclopentanone. | The Journal of chemical physics 20061014 |
| Circular dichroism laser mass spectrometry: differentiation of 3-methylcyclopentanone enantiomers. | Chemphyschem : a European journal of chemical physics and physical chemistry 20061013 |
| Comparative analysis of volatile constituents from mice and their urine. | Journal of chemical ecology 20060601 |
| Enolate structure and electron affinity. | The journal of physical chemistry. A 20051006 |
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