258831-77-5,MFCD18382221
Catalog No.:AA00C2LJ

258831-77-5 | 5-Carboxy SU 5402

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  • Properties
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Technical Information
Catalog Number:
AA00C2LJ
Chemical Name:
5-Carboxy SU 5402
CAS Number:
258831-77-5
Molecular Formula:
C18H16N2O5
Molecular Weight:
340.3300
MDL Number:
MFCD18382221
SMILES:
OC(=O)CCc1c(/C=C/2\C(=O)Nc3c2cccc3)[nH]c(c1C)C(=O)O
Properties
Computed Properties
 
Complexity:
602  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.7  

Literature
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SDS
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Tags:258831-77-5 Molecular Formula|258831-77-5 MDL|258831-77-5 SMILES|258831-77-5 5-Carboxy SU 5402
Catalog No.: AA00C2LJ
258831-77-5,MFCD18382221
258831-77-5 | 5-Carboxy SU 5402
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA00C2LJ
Chemical Name: 5-Carboxy SU 5402
CAS Number: 258831-77-5
Molecular Formula: C18H16N2O5
Molecular Weight: 340.3300
MDL Number: MFCD18382221
SMILES: OC(=O)CCc1c(/C=C/2\C(=O)Nc3c2cccc3)[nH]c(c1C)C(=O)O
Properties
Complexity: 602  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 25  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 4  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.7  
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