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20618-42-2 | Cyclopentanone, 2-(hydroxymethyl)-
CAS No: 20618-42-2 Catalog No: AG002AK9 MDL No:MFCD22542676
Product Description
Catalog Number:
AG002AK9
Chemical Name:
Cyclopentanone, 2-(hydroxymethyl)-
CAS Number:
20618-42-2
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD22542676
IUPAC Name:
2-(hydroxymethyl)cyclopentan-1-one
InChI:
InChI=1S/C6H10O2/c7-4-5-2-1-3-6(5)8/h5,7H,1-4H2
InChI Key:
VUFAQJGFNIATIT-UHFFFAOYSA-N
SMILES:
OCC1CCCC1=O
Properties
Complexity:
98.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Organocatalytic alpha-hydroxymethylation of cyclopentanone with aqueous formaldehyde: easy access to chiral delta-lactones. | Bioorganic & medicinal chemistry letters 20090715 |
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