Home Carboxys 4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid

4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid

CAS No.:
147433-59-8
Catalog Number:
AG01C2M9
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
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Product Description
Catalog Number:
AG01C2M9
Chemical Name:
4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid
CAS Number:
147433-59-8
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD20654843
IUPAC Name:
4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C9H13NO2/c1-6(2)3-7-4-8(9(11)12)10-5-7/h4-6,10H,3H2,1-2H3,(H,11,12)
InChI Key:
MXRNPVMRVMPJGU-UHFFFAOYSA-N
SMILES:
CC(Cc1c[nH]c(c1)C(=O)O)C
Properties
Complexity:
168  
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:
3  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties