Home Other Building Blocks 4-TERT-BUTYL-1H-PYRROLE-3-CARBOXYLIC ACID

4-TERT-BUTYL-1H-PYRROLE-3-CARBOXYLIC ACID

CAS No.:
1506804-07-4
Catalog Number:
AG01EK6K
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
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Product Description
Catalog Number:
AG01EK6K
Chemical Name:
4-TERT-BUTYL-1H-PYRROLE-3-CARBOXYLIC ACID
CAS Number:
1506804-07-4
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD26599288
IUPAC Name:
4-tert-butyl-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C9H13NO2/c1-9(2,3)7-5-10-4-6(7)8(11)12/h4-5,10H,1-3H3,(H,11,12)
InChI Key:
SACKRGRJYNQXJF-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]cc1C(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:
2  
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties