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26680-22-8

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Basic Information
CAS No.: 26680-22-8
Name: Polyurethane resin
Molecular Structure:
Molecular Structure of 26680-22-8 (Polyurethane resin)
Formula: C3H7NO2
Molecular Weight: 89.0932
Synonyms: Carbamic acid, ethyl ester, homopolymer;
Density: 1.045g/cm3
Melting Point: 49oC
Boiling Point: 184 °C at 760 mmHg
Flash Point: 97.2 °C
PSA: 53.31000
LogP: 0.61540
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Specification

The Ethyl carbamate homopolymer, with CAS registry number 26680-22-8, has the systematic name of ethyl carbamate. Besides this, it is also called Carbamic acid, ethyl ester, homopolymer. And the chemical formula of this chemical is C3H7NO2.

Physical properties of Ethyl carbamate homopolymer: (1)ACD/LogP: -0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.15; (4)ACD/LogD (pH 7.4): -0.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.74; (8)ACD/KOC (pH 7.4): 19.74; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.413; (14)Molar Refractivity: 21.25 cm3; (15)Molar Volume: 85.2 cm3; (16)Polarizability: 8.42×10-24cm3; (17)Surface Tension: 33.6 dyne/cm; (18)Density: 1.045 g/cm3; (19)Flash Point: 97.2 °C; (20)Enthalpy of Vaporization: 42.03 kJ/mol; (21)Boiling Point: 184 °C at 760 mmHg; (22)Vapour Pressure: 0.748 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)N
(2)InChI: InChI=1/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)
(3)InChIKey: JOYRKODLDBILNP-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)
(5)Std. InChIKey: JOYRKODLDBILNP-UHFFFAOYSA-N