Home Other Building Blocks 3-[3-(1H-imidazol-1-yl)propanamido]benzoic acid

3-[3-(1H-imidazol-1-yl)propanamido]benzoic acid

CAS No.:
1016819-96-7
Catalog Number:
AG019VFK
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
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Product Description
Catalog Number:
AG019VFK
Chemical Name:
3-[3-(1H-imidazol-1-yl)propanamido]benzoic acid
CAS Number:
1016819-96-7
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
MDL Number:
MFCD09945541
IUPAC Name:
3-(3-imidazol-1-ylpropanoylamino)benzoic acid
InChI:
InChI=1S/C13H13N3O3/c17-12(4-6-16-7-5-14-9-16)15-11-3-1-2-10(8-11)13(18)19/h1-3,5,7-9H,4,6H2,(H,15,17)(H,18,19)
InChI Key:
ZJDMACQIBMLUOF-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)C(=O)O)CCn1cncc1
Properties
Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.096g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
259.265g/mol
Monoisotopic Mass:
259.096g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties