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1203045-74-2,MFCD16653435
Catalog No.:AA01AQHI
1203045-74-2 | 1-(Cyclopropylsulfonyl)piperidine-3-carboxylic acid
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Technical Information
Catalog Number:
AA01AQHI
Chemical Name:
1-(Cyclopropylsulfonyl)piperidine-3-carboxylic acid
CAS Number:
1203045-74-2
Molecular Formula:
C9H15NO4S
Molecular Weight:
233.2847
MDL Number:
MFCD16653435
IUPAC Name:
1-cyclopropylsulfonylpiperidine-3-carboxylic acid
InChI:
InChI=1S/C9H15NO4S/c11-9(12)7-2-1-5-10(6-7)15(13,14)8-3-4-8/h7-8H,1-6H2,(H,11,12)
InChI Key:
VQMFTCLAUIDDFL-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)S(=O)(=O)C1CC1
Properties
Computed Properties
 
Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.072179g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.29g/mol
Monoisotopic Mass:
233.072179g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1Ų
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

Synonyms
 
1-(cyclopropylsulfonyl)piperidine-3-carboxylic acid 
1203045-74-2 
AKOS013878760 
MCULE-3174568931 
VU0494925-1 
L-3380 
A1-20242 
F2190-0722 
1-cyclopropylsulfonylpiperidine-3-carboxylic acid 
1-(cyclopropanesulfonyl)piperidine-3-carboxylic acid 
Literature
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