Home Carboxys 2-propyl-1H-pyrrole-3-carboxylic acid

2-propyl-1H-pyrrole-3-carboxylic acid

CAS No.:
1516169-54-2
Catalog Number:
AG01C3R5
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
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Product Description
Catalog Number:
AG01C3R5
Chemical Name:
2-propyl-1H-pyrrole-3-carboxylic acid
CAS Number:
1516169-54-2
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD26598957
IUPAC Name:
2-propyl-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C8H11NO2/c1-2-3-7-6(8(10)11)4-5-9-7/h4-5,9H,2-3H2,1H3,(H,10,11)
InChI Key:
QOKLJOSQNBNSPS-UHFFFAOYSA-N
SMILES:
CCCc1[nH]ccc1C(=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:
1.4  
Properties