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93614-80-3

Basic Information
CAS No.: 93614-80-3
Name: 2-PROPENAL, 3-(3-METHYLPHENYL)-,(2E)
Article Data: 26
Molecular Structure:
Molecular Structure of 93614-80-3 (2-PROPENAL, 3-(3-METHYLPHENYL)-,(2E))
Formula: C10H10O
Molecular Weight: 146.189
Synonyms: 2-Propenal,3-(3-methylphenyl)-, (E)-;(E)-3-Methylcinnamaldehyde;(2E)-3-(3-methylphenyl)prop-2-enal;2-propenal, 3-(3-methylphenyl)-, (2E)-;3-m-tolylacrylaldehyde;(E)-3-m-tolylacrylaldehyde;
Density: 1.015 g/cm3
Boiling Point: 264.398 °C at 760 mmHg
Flash Point: 93.547 °C
PSA: 17.07000
LogP: 2.20710
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Specification

The 2-Propenal,3-(3-methylphenyl)-, (2E)-, with the CAS registry number 93614-80-3, has the systematic name of (2E)-3-(3-methylphenyl)prop-2-enal. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H10O.

The characteristics of 2-Propenal,3-(3-methylphenyl)-, (2E)- are as followings: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.569; (8)Molar Refractivity: 47.154 cm3; (9)Molar Volume: 144.003 cm3; (10)Polarizability: 18.693×10-24cm3; (11)Surface Tension: 37.671 dyne/cm; (12)Density: 1.015 g/cm3; (13)Flash Point: 93.547 °C; (14)Enthalpy of Vaporization: 50.227 kJ/mol; (15)Boiling Point: 264.398 °C at 760 mmHg; (16)Vapour Pressure: 0.01 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C/C=C/c1cc(ccc1)C
(2)InChI: InChI=1/C10H10O/c1-9-4-2-5-10(8-9)6-3-7-11/h2-8H,1H3/b6-3+
(3)InChIKey: SJLLZWMNPJCLBC-ZZXKWVIFBM