Estr-4-en-17-one supplier | CasNO.3846-28-4

Name
Estr-4-en-17-one
EINECS 222-878-6
CAS No. 3846-28-4
Density 1.06 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₆O
Boiling Point 381.9 °C at 760 mmHg
Molecular Weight 417.527
Flash Point 164.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms ESTR-4-EN-17-ONE
PSA 45.76000
LogP 6.90490

Estr-4-en-17-one Specification

The Estr-4-en-17-one, its CAS registry number is 3846-28-4. It belongs to the product category of Medicine intermediate. This chemical's molecular formula is C₁₈H₂₆O and molecular weight is 258.4. What's more, its systematic name is Estr-4-en-17-one.

Physical properties about the Estr-4-en-17-one are: (1)ACD/LogP: 4.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.86; (4)ACD/LogD (pH 7.4): 4.86; (5)ACD/BCF (pH 5.5): 2921.08; (6)ACD/BCF (pH 7.4): 2921.08; (7)ACD/KOC (pH 5.5): 10525.23; (8)ACD/KOC (pH 7.4): 10525.23; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 76.93 cm³; (15)Molar Volume: 242.8 cm³; (16)Surface Tension: 39.8 dyne/cm; (17)Density: 1.06 g/cm³; (18)Flash Point: 164.3 °C; (19)Enthalpy of Vaporization: 63.02 kJ/mol; (20)Boiling Point: 381.9 °C at 760 mmHg; (21)Vapour Pressure: 4.91E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:O=C4[C@]3(CC[C@@H]2[C@@H]1C(=C/CCC1)\CC[C@H]2[C@@H]3CC4)C
(2) InChI:InChI=1/C18H26O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h4,13-16H,2-3,5-11H2,1H3/t13-,14+,15+,16-,18-/m0/s1
(3) InChIKey:OLYAEHZZXXLNQQ-QXUSFIETBF

Product Name

Estr-4-en-17-one

Estr-4-en-17-one Specification

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