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CAS 63095-51-2 manufacturers and suppliers on PharmaCompass

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CAS 63095-51-2
Also known as: 63095-51-2, Brivaracetam intermediate 1, (4r)-4-propyloxolan-2-one, 2(3h)-furanone, dihydro-4-propyl-, (r)-, Lp4ge5vl92, (r)-4-propyl-dihydrofuran-2-one
Molecular Formula
C7H12O2
Molecular Weight
128.17  g/mol
InChI Key
NVTUTJMZAZZKAZ-ZCFIWIBFSA-N
FDA UNII
LP4GE5VL92

1 2D Structure

CAS 63095-51-2

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 Other Identifiers
2.2.1 UNII
LP4GE5VL92
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 63095-51-2

2. Brivaracetam Intermediate 1

3. (4r)-4-propyloxolan-2-one

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

5. Lp4ge5vl92

6. (r)-4-propyl-dihydrofuran-2-one

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

8. (+)-(r)-4-propyl-4,5-dihydrofuran-2(3h)-one

9. Unii-lp4ge5vl92

10. Schembl18263291

11. Amy16477

12. Mfcd29905061

13. Zinc34596195

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

15. S10720

16. Ac-29290

17. Ds-19249

18. Cs-0090076

19. A857888

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 128.17 g/mol
Molecular Formula C7H12O2
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass128.083729621 g/mol
Monoisotopic Mass128.083729621 g/mol
Topological Polar Surface Area26.3 Ų
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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