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226259-91-2,MFCD31665780
Catalog No.:AA01EKVU

226259-91-2 | 2,3,4,5-tetrahydro-1-benzothiepine-7-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$493.00   $345.00
- +
100mg
95%
3 weeks  
$681.00   $477.00
- +
250mg
95%
3 weeks  
$922.00   $645.00
- +
500mg
95%
3 weeks  
$1,388.00   $972.00
- +
1g
95%
3 weeks  
$1,747.00   $1,223.00
- +
2.5g
95%
3 weeks  
$3,313.00   $2,319.00
- +
5g
95%
3 weeks  
$4,847.00   $3,393.00
- +
10g
95%
3 weeks  
$7,131.00   $4,992.00
- +
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Technical Information
Catalog Number:
AA01EKVU
Chemical Name:
2,3,4,5-tetrahydro-1-benzothiepine-7-carboxylic acid
CAS Number:
226259-91-2
Molecular Formula:
C11H12O2S
Molecular Weight:
208.2768
MDL Number:
MFCD31665780
SMILES:
OC(=O)c1ccc2c(c1)CCCCS2
Properties
Computed Properties
 
Complexity:
217  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.7  

Literature
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Additional Info:
SDS
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Tags:226259-91-2 Molecular Formula|226259-91-2 MDL|226259-91-2 SMILES|226259-91-2 2,3,4,5-tetrahydro-1-benzothiepine-7-carboxylic acid