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428872-08-6,MFCD21333202
Catalog No.:AA00D7TH

428872-08-6 | Ethyl (2E)-3-{1-methyl-4-[(4-methylphenyl)-carbonyl]-1H-pyrrol-2-yl}prop-2-enoate

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Technical Information
Catalog Number:
AA00D7TH
Chemical Name:
Ethyl (2E)-3-{1-methyl-4-[(4-methylphenyl)-carbonyl]-1H-pyrrol-2-yl}prop-2-enoate
CAS Number:
428872-08-6
Molecular Formula:
C18H19NO3
Molecular Weight:
297.3484
MDL Number:
MFCD21333202
SMILES:
CCOC(=O)/C=C/c1cc(cn1C)C(=O)c1ccc(cc1)C
Properties
Computed Properties
 
Complexity:
424  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
6  
XLogP3:
3.1  

Literature
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Additional Info:
SDS
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Tags:428872-08-6 Molecular Formula|428872-08-6 MDL|428872-08-6 SMILES|428872-08-6 Ethyl (2E)-3-{1-methyl-4-[(4-methylphenyl)-carbonyl]-1H-pyrrol-2-yl}prop-2-enoate