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Home Other Building Blocks 1187945-72-7
1187945-72-7,MFCD31562457
Catalog No.:AA008WUY

1187945-72-7 | Dihydroisoferulic Acid 3-O-Glucuronide

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Technical Information
Catalog Number:
AA008WUY
Chemical Name:
Dihydroisoferulic Acid 3-O-Glucuronide
CAS Number:
1187945-72-7
Molecular Formula:
C16H20O10
Molecular Weight:
372.3240
MDL Number:
MFCD31562457
SMILES:
COc1ccc(cc1O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)CCC(=O)O
Properties
Computed Properties
 
Complexity:
497  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
5  
Rotatable Bond Count:
7  
XLogP3:
-0.3  

Literature
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SDS
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Tags:1187945-72-7 Molecular Formula|1187945-72-7 MDL|1187945-72-7 SMILES|1187945-72-7 Dihydroisoferulic Acid 3-O-Glucuronide