FT-0603119 CAS:81-23-2 chemical structure

Dehydrocholic acid

Name: Dehydrocholic acid
Rating: 4.5 (11 reviews)

Catalog No: FT-0603119

CAS No: 81-23-2

Molecular Formula: 402.5
Formula Weight: C24H34O5
Inchl Key: OHXPGWPVLFPUSM-KLRNGDHRSA-N
Inchl: InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Flash_Point:	319.5±26.6 °C
FW:	402.524
Bolling_Point:	581.5±50.0 °C at 760 mmHg
Product_Name:	Dehydrocholic acid
CAS:	81-23-2
MF:	C24H34O5
Melting_Point:	238-240 °C
Density:	1.2±0.1 g/cm3

PSA:	88.51000
Bolling_Point:	581.5±50.0 °C at 760 mmHg
Molecular_Structure:	['1 . Molar refractive index 10686 ', '2 . Molar volume 3433 ', '3 . Parachor （902K）8915 ', '4 . Surface tension 454 ', '5 . Polarizability 4236']
LogP:	1.77
More_Info:	['1 . Appearance White 结晶性粉末，无臭，味苦 ', '2 . Density（g/mL,25/4℃）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）237℃ ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling point（ºC,52kPa）不确定 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 15℃时，Water 018，醇33，醚046，氯仿904，苯104，丙酮776，乙酸乙酯74，冰乙酸742']
MF:	C24H34O5
Computational_Chemistry:	['1 . XlogP 26 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 5 ', '4 . Rotatable Bond Count 4 ', '5 . TPSA 885 ', '6 . Heavy Atom Count 29 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 756 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 8 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
Melting_Point:	238-240 °C
Refractive_Index:	1.535
Flash_Point:	319.5±26.6 °C
FW:	402.524
Exact_Mass:	402.240631
Vapor_Pressure:	0.0±3.5 mmHg at 25°C
Density:	1.2±0.1 g/cm3