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Home Other Building Blocks 67688-87-3
67688-87-3,MFCD03002760
Catalog No.:AA01A4EN

67688-87-3 | (2E)-3-(3,5-dimethylphenyl)prop-2-enoic acid

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Technical Information
Catalog Number:
AA01A4EN
Chemical Name:
(2E)-3-(3,5-dimethylphenyl)prop-2-enoic acid
CAS Number:
67688-87-3
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD03002760
SMILES:
OC(=O)C=Cc1cc(C)cc(c1)C
Properties
Computed Properties
 
Complexity:
198  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.6  

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Additional Info:
SDS
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Tags:67688-87-3 Molecular Formula|67688-87-3 MDL|67688-87-3 SMILES|67688-87-3 (2E)-3-(3,5-dimethylphenyl)prop-2-enoic acid