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Overview of (R)-4-Propyldihydrofuran-2(3H)-One

Client Email Product
(4R)-4-propyloxolan-2-one
PharmaCompass
(4R)-4-propyloxolan-2-one
Also known as: 63095-51-2, Brivaracetam intermediate 1, (4r)-4-propyloxolan-2-one, Schembl18263291, Molport-044-560-837, Ks-00000to5
Molecular Formula
C7H12O2
Molecular Weight
128.171  g/mol
InChI Key
NVTUTJMZAZZKAZ-ZCFIWIBFSA-N

1 2D Structure

(4R)-4-propyloxolan-2-one

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4R)-4-propyloxolan-2-one
2.1.2 InChI
InChI=1S/C7H12O2/c1-2-3-6-4-7(8)9-5-6/h6H,2-5H2,1H3/t6-/m1/s1
2.1.3 InChI Key
NVTUTJMZAZZKAZ-ZCFIWIBFSA-N
2.1.4 Canonical SMILES
CCCC1CC(=O)OC1
2.1.5 Isomeric SMILES
CCC[C@@H]1CC(=O)OC1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 63095-51-2

2. Brivaracetam Intermediate 1

3. (4r)-4-propyloxolan-2-one

4. Schembl18263291

5. Molport-044-560-837

6. Ks-00000to5

7. Mfcd29905061

8. Zinc34596195

9. Akos028112524

10. (r)-dihydro-4-propyl-2(3h)-furanone

11. (r)-dihydro-4-propylfuran-2(3h)-one

12. Ds-19249

13. 2(3h)-furanone, Dihydro-4-propyl-, (r)-

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 128.171 g/mol
Molecular Formula C7H12O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass128.084 g/mol
Monoisotopic Mass128.084 g/mol
Topological Polar Surface Area26.3 A^2
Heavy Atom Count9
Formal Charge0
Complexity110
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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