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85743-59-5,MFCD01233558
Catalog No.:AA004P1U

85743-59-5 | 2-Propenoic acid, 3-(2-benzoxazolyl)-, (2E)-

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Technical Information
Catalog Number:
AA004P1U
Chemical Name:
2-Propenoic acid, 3-(2-benzoxazolyl)-, (2E)-
CAS Number:
85743-59-5
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
MDL Number:
MFCD01233558
SMILES:
OC(=O)/C=C/c1nc2c(o1)cccc2
Properties
Computed Properties
 
Complexity:
252  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.8  

Literature
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SDS
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Tags:85743-59-5 Molecular Formula|85743-59-5 MDL|85743-59-5 SMILES|85743-59-5 2-Propenoic acid, 3-(2-benzoxazolyl)-, (2E)-