859191-98-3,MFCD22987365
Catalog No.:AA01A56Y

859191-98-3 | ethyl 2-methyl-3-(4-methylphenyl)propanoate

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  • Properties
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Technical Information
Catalog Number:
AA01A56Y
Chemical Name:
ethyl 2-methyl-3-(4-methylphenyl)propanoate
CAS Number:
859191-98-3
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
MDL Number:
MFCD22987365
SMILES:
CCOC(=O)C(Cc1ccc(cc1)C)C
Properties
Computed Properties
 
Complexity:
193  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.3  

Literature
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Additional Info:
SDS
Tags:859191-98-3 Molecular Formula|859191-98-3 MDL|859191-98-3 SMILES|859191-98-3 ethyl 2-methyl-3-(4-methylphenyl)propanoate
Catalog No.: AA01A56Y
859191-98-3,MFCD22987365
859191-98-3 | ethyl 2-methyl-3-(4-methylphenyl)propanoate
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA01A56Y
Chemical Name: ethyl 2-methyl-3-(4-methylphenyl)propanoate
CAS Number: 859191-98-3
Molecular Formula: C13H18O2
Molecular Weight: 206.2808
MDL Number: MFCD22987365
SMILES: CCOC(=O)C(Cc1ccc(cc1)C)C
Properties
Complexity: 193  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.3  
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