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Home Amines 97043-09-9
97043-09-9,MFCD18379324
Catalog No.:AA01CBCV

97043-09-9 | Benzo[a]heptalen-9(5H)-one,7-amino-6,7-dihydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-, (S)-

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Technical Information
Catalog Number:
AA01CBCV
Chemical Name:
Benzo[a]heptalen-9(5H)-one,7-amino-6,7-dihydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-, (S)-
CAS Number:
97043-09-9
Molecular Formula:
C19H21NO4S
Molecular Weight:
359.4393
MDL Number:
MFCD18379324
SMILES:
COC1=C(C=C2CCC(C3=CC(=O)C(=CC=C3C2=C1OC)SC)N)O
Properties
Computed Properties
 
Complexity:
627  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
1.2  

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SDS
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Tags:97043-09-9 Molecular Formula|97043-09-9 MDL|97043-09-9 SMILES|97043-09-9 Benzo[a]heptalen-9(5H)-one,7-amino-6,7-dihydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-, (S)-