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464877-92-7,MFCD09802333
Catalog No.:AA00DD5L

464877-92-7 | (2S,3R)-3-((3-Methoxyphenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

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Technical Information
Catalog Number:
AA00DD5L
Chemical Name:
(2S,3R)-3-((3-Methoxyphenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CAS Number:
464877-92-7
Molecular Formula:
C16H17NO4
Molecular Weight:
287.3105
MDL Number:
MFCD09802333
SMILES:
COc1cccc(c1)NC(=O)[C@@H]1C2C=CC([C@@H]1C(=O)O)C2
Properties
Computed Properties
 
Complexity:
461  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
2  
XLogP3:
1.6  

Literature
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SDS
Tags:464877-92-7 Molecular Formula|464877-92-7 MDL|464877-92-7 SMILES|464877-92-7 (2S,3R)-3-((3-Methoxyphenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid