Home Carboxys 1-(tert-Butyl)-1H-pyrrole-3-carboxylic acid

1-(tert-Butyl)-1H-pyrrole-3-carboxylic acid

CAS No.:
1266364-46-8
Catalog Number:
AG000T0J
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$448
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Product Description
Catalog Number:
AG000T0J
Chemical Name:
1-(tert-Butyl)-1H-pyrrole-3-carboxylic acid
CAS Number:
1266364-46-8
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD18412124
IUPAC Name:
1-tert-butylpyrrole-3-carboxylic acid
InChI:
InChI=1S/C9H13NO2/c1-9(2,3)10-5-4-7(6-10)8(11)12/h4-6H,1-3H3,(H,11,12)
InChI Key:
KGTRRTBGDRLPPF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccn(c1)C(C)(C)C
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties