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1001754-59-1,MFCD08703174
Catalog No.:AA00012O
1001754-59-1 | 1,3-Pyrrolidinedicarboxylic acid, 3-fluoro-, 1-(1,1-dimethylethyl) ester
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100mg
95%
in stock  
$117.00
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250mg
95%
in stock  
$195.00
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1g
95%
in stock  
$389.00
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5g
95%
in stock  
$1,165.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00012O
Chemical Name:
1,3-Pyrrolidinedicarboxylic acid, 3-fluoro-, 1-(1,1-dimethylethyl) ester
CAS Number:
1001754-59-1
Molecular Formula:
C10H15FNO4-
Molecular Weight:
232.2288
MDL Number:
MFCD08703174
IUPAC Name:
3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C10H16FNO4/c1-9(2,3)16-8(15)12-5-4-10(11,6-12)7(13)14/h4-6H2,1-3H3,(H,13,14)
InChI Key:
YVMHYDQOUZWQQA-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)(F)C(=O)[O-])OC(C)(C)C
Properties
Computed Properties
 
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.106g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.239g/mol
Monoisotopic Mass:
233.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Synonyms
 
1001754-59-1 
1-(TERT-BUTOXYCARBONYL)-3-FLUOROPYRROLIDINE-3-CARBOXYLIC ACID 
MCULE-8232233447 
PB27944 
KS-0000071M 
AK172268 
BS-14076 
CS-0037355 
EN300-89429 
Q-3631 
F8889-7643 
Z1020801252 
1-[(tert-butoxy)carbonyl]-3-fluoropyrrolidine-3-carboxylic acid 
3-Fluoropyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 
3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid 
C10H16FNO4 
1-BOC-3-FLUOROPYRROLIDINE-3-CARBOXYLIC ACID 
MFCD08703174 
AC1Q1N1J 
SCHEMBL2327550 
DTXSID10677641 
YVMHYDQOUZWQQA-UHFFFAOYSA-N 
AKOS023787894 
Literature
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