(3aS,4R,5R,7aR)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol

Catalog No: FT-0700828

CAS No: 130669-76-0

Chemical Name: (3aS,4R,5R,7aR)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
Molecular Formula: C9H14O4
Molecular Weight: 186.20
InChI Key: VCIXQRISGLSULF-WCTZXXKLSA-N
InChI: InChI=1S/C9H14O4/c1-9(2)12-6-4-3-5(10)7(11)8(6)13-9/h3-8,10-11H,1-2H3/t5-,6-,7-,8-/m1/s1

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

Bolling_Point:	313.5ºC at 760mmHg
CAS:	130669-76-0
MF:	C9H14O4
Density:	1.254g/cm3
Melting_Point:	68-71ºC(lit.)
Product_Name:	(3aS,4R,5R,7aR)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
Flash_Point:	143.4ºC
FW:	186.20500

MF:	C9H14O4
Density:	1.254g/cm3
Computational_Chemistry:	['1. XlogP :-05 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 589 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :236 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :4 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Exact_Mass:	186.08900
Vapor_Pressure:	0mmHg at 25°C
Flash_Point:	143.4ºC
PSA:	58.92000
Molecular_Structure:	['五分子性质数据 ', '1 . Molar refractive index 4565 ', '2 . Molar volume 1484 ', '3 . Parachor （902K）3861 ', '4 . Surface tension 457 ', '5 . Polarizability 1809']
Melting_Point:	68-71ºC(lit.)
Bolling_Point:	313.5ºC at 760mmHg
FW:	186.20500
Refractive_Index:	1.527