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Home Carboxys 1-(tert-Butoxycarbonyl)-1h-pyrrole-2-carboxylic acid

1-(tert-Butoxycarbonyl)-1h-pyrrole-2-carboxylic acid

CAS No.:
117657-40-6
Catalog Number:
AG0094JU
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$438
- +
5g
96%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG0094JU
Chemical Name:
1-(tert-Butoxycarbonyl)-1h-pyrrole-2-carboxylic acid
CAS Number:
117657-40-6
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
MDL Number:
MFCD02094480
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrole-2-carboxylic acid
InChI:
InChI=1S/C10H13NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h4-6H,1-3H3,(H,12,13)
InChI Key:
NRUKTXCMKFFMBR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccn1C(=O)OC(C)(C)C
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.217g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties