Home Carboxys 5-propyl-1H-pyrrole-2-carboxylic acid

5-propyl-1H-pyrrole-2-carboxylic acid

CAS No.:
1505069-69-1
Catalog Number:
AG01DVFN
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
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Product Description
Catalog Number:
AG01DVFN
Chemical Name:
5-propyl-1H-pyrrole-2-carboxylic acid
CAS Number:
1505069-69-1
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD22394456
IUPAC Name:
5-propyl-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C8H11NO2/c1-2-3-6-4-5-7(9-6)8(10)11/h4-5,9H,2-3H2,1H3,(H,10,11)
InChI Key:
ANCHSDGIYBQDOA-UHFFFAOYSA-N
SMILES:
CCCc1ccc([nH]1)C(=O)O
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties