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13331-19-6,MFCD00100568
Catalog No.:AA0014J5

13331-19-6 | 1,3-Benzenediol, 2-propyl-

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Purity
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Price(USD)
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1g
95%
1 week  
$509.00   $357.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0014J5
Chemical Name:
1,3-Benzenediol, 2-propyl-
CAS Number:
13331-19-6
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
MDL Number:
MFCD00100568
SMILES:
CCCc1c(O)cccc1O
NSC Number:
95252
Properties
Properties
 
BP:
302.907°C at 760 mmHg  
Form:
Solid  
MP:
101-103 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
104  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
2.6  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1995,vol.38,p.4411-4432

[2]Patent:US5310951,1994,A

[3]Patent:US5124350,1992,A

[4]BioorganicandMedicinalChemistryLetters,2015,vol.25,p.1274-1278

[5]JournalofMedicinalChemistry,1989,vol.32,p.807-826

[6]Patent:US5324743,1994,A

[7]Patent:US5462954,1995,A

[8]Patent:US5478857,1995,A

[9]Patent:EP743064,1996,A1

[1]JournalofMedicinalChemistry,1995,vol.38,p.4411-4432

[2]Patent:US5462954,1995,A

[3]Patent:US5543428,1996,A

[4]Patent:US6235785,2001,B1

[1]JournalofMedicinalChemistry,1995,vol.38,p.4411-4432

[1]Sawyer;Bach;Baker;Baldwin;Borromeo;Cockerham;Fleisch;Floreancig;Froelich;Jackson;Marder;Palkowitz;Roman;SaussyJr.;Schmittling;Silbaugh;Spaethe;Stengel;Sofia[JournalofMedicinalChemistry,1995,vol.38,#22,p.4411-4432]

[2]Sawyer;Bach;Baker;Baldwin;Borromeo;Cockerham;Fleisch;Floreancig;Froelich;Jackson;Marder;Palkowitz;Roman;SaussyJr.;Schmittling;Silbaugh;Spaethe;Stengel;Sofia[JournalofMedicinalChemistry,1995,vol.38,#22,p.4411-4432]

[1]Patent:EP743064,1996,A1

Literature
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SDS
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Tags:13331-19-6 Molecular Formula|13331-19-6 MDL|13331-19-6 SMILES|13331-19-6 1,3-Benzenediol, 2-propyl-