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Home Carboxys 1H-Pyrrole-3-carboxylic acid, 2,5-dimethyl-1-(4-pyridinylmethyl)-

1H-Pyrrole-3-carboxylic acid, 2,5-dimethyl-1-(4-pyridinylmethyl)-

CAS No.:
306936-15-2
Catalog Number:
AG0030WY
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
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Product Description
Catalog Number:
AG0030WY
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 2,5-dimethyl-1-(4-pyridinylmethyl)-
CAS Number:
306936-15-2
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
MDL Number:
MFCD01567218
IUPAC Name:
2,5-dimethyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylic acid
InChI:
InChI=1S/C13H14N2O2/c1-9-7-12(13(16)17)10(2)15(9)8-11-3-5-14-6-4-11/h3-7H,8H2,1-2H3,(H,16,17)
InChI Key:
IHQUENCAKSKBOG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(n(c1C)Cc1ccncc1)C
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties