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71777-36-1

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Basic Information
CAS No.: 71777-36-1
Name: ACETOPHENONE-METHYL-13C
Article Data: 7
Molecular Structure:
Molecular Structure of 71777-36-1 (ACETOPHENONE-METHYL-13C)
Formula: C8H8O
Molecular Weight: 121.14
Synonyms: ACETOPHENONE-BETA-13C;ACETOPHENONE-METHYL-13C;ACETOPHENONE-METHYL-13C, 99 ATOM % 13C;Acetophenone-β-13C
Density: 1.038 g/mL at 25 °C
Melting Point: 19-20 °C(lit.)
Boiling Point: 202 °C(lit.)
Flash Point: 180 °F
Hazard Symbols: HarmfulXn
Risk Codes: 22-36
Safety: 26
PSA: 17.07000
LogP: 1.88920
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Specification

This chemical is called Acetophenone-methyl-13C, and its systematic name is 1-phenylethanone. With the molecular formula of C8H8O, its molecular weight is 121.16. The CAS registry number of this chemical is 71777-36-1.

Other characteristics of the Acetophenone-methyl-13C can be summarised as followings: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 0; (4)Index of Refraction: 1.511; (5)Molar Refractivity: 36.28 cm3; (6)Molar Volume: 120.9 cm3; (7)Polarizability: 14.38×10-24cm3; (8)Surface Tension: 34.1 dyne/cm; (9)Density: 0.993 g/cm3.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful if swallowed. It's irritating to eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: CC(=O)c1ccccc1
2.InChI: InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3/i1+1
3.InChIKey: KWOLFJPFCHCOCG-OUBTZVSYEJ