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63157-14-2

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Basic Information
CAS No.: 63157-14-2
Name: 2-Isocyano-3-phenylpropionic acid methyl ester
Molecular Structure:
Molecular Structure of 63157-14-2 (2-Isocyano-3-phenylpropionic acid methyl ester)
Formula: C11H11NO2
Molecular Weight: 189.21
Synonyms: Benzenepropanoic acid, α-isocyano-, methyl ester;
Melting Point: 40-46 °C
Hazard Symbols: HarmfulXn
Risk Codes: 36/37/38-20/21/22
Safety: 36/37/39-26
PSA: 26.30000
LogP: 0.92070
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  • 2-Isocyano-3-phenylpropionic acid methyl ester

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    63157-14-2

    2-Isocyano-3-phenylpropionic acid methyl ester

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    mp : 40-46 °C Hazard Codes : Xn Risk Statements : 36/37/38-20/21/22 Safety Statements : 36/37/39-26

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Specification

The 2-Isocyano-3-phenylpropionic acid methyl ester, with the CAS registry number of 63157-14-2, is also known as Benzenepropanoic acid, α-isocyano-, methyl ester. Its molecular formula is C11H11NO2 and molecular weight is 189.21. What's more, its systematic name is Methyl 2-isocyano-3-phenylpropanoate. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the 2-Isocyano-3-phenylpropionic acid methyl ester are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 30.66 Å2.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: [C-]#[N+]C(C(=O)OC)Cc1ccccc1
(2) InChI: InChI=1/C11H11NO2/c1-12-10(11(13)14-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,2H3
(3) InChIKey: CEPQFHINGYLWCQ-UHFFFAOYAS