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Also known as: 956-89-8, Alpha,alpha-diphenyl-gamma-butyrolactone, 3,3-diphenyloxolan-2-one, Dihydro-3,3-diphenyl-2(3h)-furanone, Einecs 213-480-3, Mls001359823
Molecular Formula
C16H14O2
Molecular Weight
238.28  g/mol
InChI Key
IRQJWIUKHLVISG-UHFFFAOYSA-N

CAS 956-89-8
1 2D Structure

CAS 956-89-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3,3-diphenyloxolan-2-one
2.1.2 InChI
InChI=1S/C16H14O2/c17-15-16(11-12-18-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2
2.1.3 InChI Key
IRQJWIUKHLVISG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1COC(=O)C1(C2=CC=CC=C2)C3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 956-89-8

2. Alpha,alpha-diphenyl-gamma-butyrolactone

3. 3,3-diphenyloxolan-2-one

4. Dihydro-3,3-diphenyl-2(3h)-furanone

5. Einecs 213-480-3

6. Mls001359823

7. Schembl577105

8. Chembl1892419

9. Dtxsid00241895

10. Hms3021l04

11. 3,3-diphenyltetrahydrofuran-2-one

12. Zinc2563990

13. Mfcd00005393

14. Akos016009712

15. Ncgc00247300-01

16. 2(3h)-furanone, Dihydro-3,3-diphenyl-

17. Smr001224388

18. Db-057599

19. Ft-0606147

20. Alpha , Alpha -diphenyl- Gamma -butyrolactone

21. .alpha.,.alpha.-diphenyl-.gamma.-butyrolactone

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 238.28 g/mol
Molecular Formula C16H14O2
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass238.099379685 g/mol
Monoisotopic Mass238.099379685 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity280
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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