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sodium;3-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate

Catalog No: FT-0739767

CAS No: 5418-36-0

Chemical Name: sodium;3-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate
Molecular Formula: C13H11NNaO2+
Molecular Weight: 236.22
InChI Key: KZMNIJMAXYPWOZ-UHFFFAOYSA-N
InChI: InChI=1S/C13H11NO2.Na/c1-9-8-12(16)6-7-13(9)14-10-2-4-11(15)5-3-10;/h2-8,15H,1H3;/q;+1

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Base Information
Chemical Information

Bolling_Point:	366.6ºC at 760mmHg
CAS:	5418-36-0
MF:	C13H11NNaO2+
Density:	1.16g/cm3
Melting_Point:	N/A
Product_Name:	sodium,4-(4-hydroxyphenyl)imino-3-methylcyclohexa-2,5-dien-1-one
Flash_Point:	175.5ºC
FW:	236.22200

Density:	1.16g/cm3
MF:	C13H11NNaO2+
LogP:	2.46820
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :6 ', '6. TPSA :497 ', '7. Heavy Atom Count :17 ', '8. Topological Polar Surface Area :1 ', '9. Complexity :371 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :2']
Exact_Mass:	236.06900
Bolling_Point:	366.6ºC at 760mmHg
Flash_Point:	175.5ºC
FW:	236.22200
Refractive_Index:	1.59
PSA:	49.66000