2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-(4-penten-1-yl)-6-heptenoic acid supplier

Name
2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-2-(pent-4-enyl)hept-6-enoic acid
EINECS
CAS No. 1068435-19-7
Article Data3
CAS DataBase
Density 1.137 g/cm³
Solubility
Melting Point
Formula C₂₇H₃₁NO₄
Boiling Point 638.26 °C at 760 mmHg
Molecular Weight 433.54
Flash Point 339.808 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Heptenoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-(4-penten-1-yl)-;2-(9H-Fluoren-9-ylmethoxycarbonylamino)-2-pent-4-enyl-hept-6-enoic acid;
PSA 75.63000
LogP 6.45200

2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-(4-penten-1-yl)-6-heptenoic acid Specification

The 2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-2-(pent-4-enyl)hept-6-enoic acid, with the CAS registry number 1068435-19-7, is also known as 6-Heptenoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-(4-penten-1-yl)-. This chemical's molecular formula is C₂₇H₃₁NO₄ and molecular weight is 433.54. What's more, its systematic name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pent-4-enyl-hept-6-enoic acid.

Physical properties of 2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-2-(pent-4-enyl)hept-6-enoic acid are: (1)ACD/LogP: 7.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.248; (4)ACD/LogD (pH 7.4): 3.705; (5)ACD/BCF (pH 5.5): 1946.568; (6)ACD/BCF (pH 7.4): 55.687; (7)ACD/KOC (pH 5.5): 2187.788; (8)ACD/KOC (pH 7.4): 62.588; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 75.63 Å²; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 125.067 cm³; (15)Molar Volume: 381.145 cm³; (16)Surface Tension: 46.61 dyne/cm; (17)Density: 1.137 g/cm³; (18)Flash Point: 339.808 °C; (19)Enthalpy of Vaporization: 99.076 kJ/mol; (20)Boiling Point: 638.26 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: C=CCCCC(CCCC=C)(C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3
(2)InChI: InChI=1S/C27H31NO4/c1-3-5-11-17-27(25(29)30,18-12-6-4-2)28-26(31)32-19-24-22-15-9-7-13-20(22)21-14-8-10-16-23(21)24/h3-4,7-10,13-16,24H,1-2,5-6,11-12,17-19H2,(H,28,31)(H,29,30)
(3)InChIKey: AXHUVDDCLKLLFC-UHFFFAOYSA-N

Product Name

2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-2-(pent-4-enyl)hept-6-enoic acid

2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-(4-penten-1-yl)-6-heptenoic acid Specification

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