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6-ACETOXY-N-CAPROIC ACID METHYL ESTER (CAS: 104954-58-7) - Chemical Structure and Molecular Formula

6-ACETOXY-N-CAPROIC ACID METHYL ESTER (CAS: 104954-58-7) - Chemical Structure Thumbnail

6-ACETOXY-N-CAPROIC ACID METHYL ESTER

Catalog No: FT-0642579

CAS No: 104954-58-7

Chemical Name: 6-ACETOXY-N-CAPROIC ACID METHYL ESTER
Molecular Formula: C9H16O4
Molecular Weight: 188.22
InChI Key: MFIRVMDIUPRJDB-UHFFFAOYSA-N
InChI: InChI=1S/C9H16O4/c1-8(10)13-7-5-3-4-6-9(11)12-2/h3-7H2,1-2H3

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

Product_Name:	Methyl 6-Acetoxyhexanoate
Flash_Point:	105.557ºC
Melting_Point:	N/A
FW:	188.22100
Density:	1.03
CAS:	104954-58-7
Bolling_Point:	232.781ºC at 760 mmHg
MF:	C9H16O4

Molecular_Structure:	['1. Molar refractive index 4729 ', '2. Molar volume 184 ', '3. Parachor （902K）4396 ', '4. Surface tension 325 ', '5. Dielectric constant N/A ', '6. Polarizability 1874 ', '7. Single isotope mass 188104859 Da ', '8. Nominal mass 188 Da ', '9. Average mass 1882209 Da']
LogP:	1.28290
Flash_Point:	105.557ºC
Refractive_Index:	1.427
FW:	188.22100
Density:	1.03
Bolling_Point:	232.781ºC at 760 mmHg
Computational_Chemistry:	['1. XlogP :1 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :N/A ', '6. TPSA 526 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :165 ', '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 :1']
PSA:	52.60000
Exact_Mass:	188.10500
Vapor_Pressure:	0.058mmHg at 25°C
MF:	C9H16O4

HS_Code:	2918990090

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