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90598-46-2

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Basic Information
CAS No.: 90598-46-2
Name: prop-2-enoic acid
Molecular Structure:
Molecular Structure of 90598-46-2 (prop-2-enoic acid)
Formula: C21H25ClO5
Molecular Weight: 392.8795
Boiling Point: 400.8 °C at 760 mmHg
Flash Point: 192.4 °C
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    90598-46-2

    prop-2-enoic acid

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  • Casno:

    90598-46-2

    prop-2-enoic acid

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

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Specification

The CAS register number of Araldite GT 7004 acrylate is 90598-46-2. The systematic name about this chemical is acrylic acid; 2-(chloromethyl)oxirane; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol. The molecular formula about this chemical is C21H25ClO5 and the molecular weight is 392.8795.

Physical properties about Araldite GT 7004 acrylate are: (1)ACD/LogP: 3.43; (2)ACD/LogD (pH 5.5): 3.43; (3)ACD/LogD (pH 7.4): 3.43; (4)ACD/BCF (pH 5.5): 238.64; (5)ACD/BCF (pH 7.4): 237.55; (6)ACD/KOC (pH 5.5): 1752.23; (7)ACD/KOC (pH 7.4): 1744.19; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 18.46 Å2; (12)Flash Point: 192.4 °C; (13)Enthalpy of Vaporization: 67.72 kJ/mol; (14)Boiling Point: 400.8 °C at 760 mmHg; (15)Vapour Pressure: 5.34E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC1OC1.O=C(O)\C=C.Oc1ccc(cc1)C(c2ccc(O)cc2)(C)C
(2)InChI: InChI=1/C15H16O2.C3H5ClO.C3H4O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;4-1-3-2-5-3;1-2-3(4)5/h3-10,16-17H,1-2H3;3H,1-2H2;2H,1H2,(H,4,5)
(3)InChIKey: RYSXGWPNVZQNNB-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C15H16O2.C3H5ClO.C3H4O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;4-1-3-2-5-3;1-2-3(4)5/h3-10,16-17H,1-2H3;3H,1-2H2;2H,1H2,(H,4,5)
(5)Std. InChIKey: RYSXGWPNVZQNNB-UHFFFAOYSA-N