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Also known as: 330792-68-2, 2-[hydroxy(4-phenoxyphenyl)methylene]malononitrile, Propanedinitrile, 2-[hydroxy(4-phenoxyphenyl)methylene]-, 2-[hydroxy-(4-phenoxyphenyl)methylidene]propanedinitrile, Mfcd20270362, 1,1-dicyano-2-hydroxy-2-(4-phenoxyphenyl)ethene
Molecular Formula
C16H10N2O2
Molecular Weight
262.26  g/mol
InChI Key
MWTPPIZIKZHMSK-UHFFFAOYSA-N

CAS 330792-68-2
1 2D Structure

CAS 330792-68-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[hydroxy-(4-phenoxyphenyl)methylidene]propanedinitrile
2.1.2 InChI
InChI=1S/C16H10N2O2/c17-10-13(11-18)16(19)12-6-8-15(9-7-12)20-14-4-2-1-3-5-14/h1-9,19H
2.1.3 InChI Key
MWTPPIZIKZHMSK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=C(C#N)C#N)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 330792-68-2

2. 2-[hydroxy(4-phenoxyphenyl)methylene]malononitrile

3. Propanedinitrile, 2-[hydroxy(4-phenoxyphenyl)methylene]-

4. 2-[hydroxy-(4-phenoxyphenyl)methylidene]propanedinitrile

5. Mfcd20270362

6. 1,1-dicyano-2-hydroxy-2-(4-phenoxyphenyl)ethene

7. Schembl202753

8. Propanedinitrile, [hydroxy(4-phenoxyphenyl)methylene]-

9. Bcp14807

10. Cs-m2594

11. Ac-29709

12. Cs-14789

13. Sy126889

14. W11659

15. A875440

16. 2-[hydroxy-(4-phenoxy-phenyl)-methylene]malononitrile

17. 2-[hydroxy-(4-phenoxy-phenyl)-methylene]-malononitrile

18. Propanedinitrile,2-[hydroxy(4-phenoxyphenyl)methylene]-

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 262.26 g/mol
Molecular Formula C16H10N2O2
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area77
Heavy Atom Count20
Formal Charge0
Complexity433
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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