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51077-13-5,MFCD10686611
Catalog No.:AA00DD53
51077-13-5 | 1-(TERT-BUTOXYCARBONYL)-2,5-DIHYDRO-1H-PYRROLE-2-CARBOXYLIC ACID
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Purity
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Price(USD)
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1g
95%
in stock  
$272.00
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5g
95%
in stock  
$894.00
- +
  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00DD53
Chemical Name:
1-(TERT-BUTOXYCARBONYL)-2,5-DIHYDRO-1H-PYRROLE-2-CARBOXYLIC ACID
CAS Number:
51077-13-5
Molecular Formula:
C10H15NO4
Molecular Weight:
213.2304
MDL Number:
MFCD10686611
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrole-2-carboxylic acid
InChI:
InChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h4-5,7H,6H2,1-3H3,(H,12,13)
InChI Key:
BMIGSRMSSCUMAZ-UHFFFAOYSA-N
SMILES:
OC(=O)C1C=CCN1C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.1g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.233g/mol
Monoisotopic Mass:
213.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
51077-13-5 
1-(TERT-BUTOXYCARBONYL)-2,5-DIHYDRO-1H-PYRROLE-2-CARBOXYLIC ACID 
FCH933367 
MFCD10686611 
1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrole-2-carboxylic Acid 
AKOS006340612 
ACM51077135 
4CH-007099 
Y-6385 
4029094-25G 
1H-Pyrrole-1,2-dicarboxylic acid, 2,5-dihydro-, 1-(1,1-dimethylethyl) ester, (2S)- 
ACN-045583 
1H-Pyrrole-1,2-dicarboxylic acid, 2,5-dihydro-, 1-(1,1-dimethylethyl)ester 
CID3504483 
(S)-1-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid 
51154-06-4 
1-2,5-dihydro-1h-pyrrole-2-carboxylicacid 
1-Boc-2,5-dihydro-1H-pyrrole-2-carboxylic acid 
1- -2,5-DIHYDRO-1H-PYRROLE-2-CARBOXYLICACID 
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrole-2-carboxylic acid 
AK115638 
AC1MQN9X 
SCHEMBL629586 
PYR392 
CTK4J3605 
DTXSID00393121 
ZX-CM006722 
Literature
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