Home Other Building Blocks 5-(1H-IMIDAZOL-1-YLMETHYL)-1H-PYRROLE-2-CARBALDEHYDE

5-(1H-IMIDAZOL-1-YLMETHYL)-1H-PYRROLE-2-CARBALDEHYDE

CAS No.:
118896-48-3
Catalog Number:
AG01EM78
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
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Product Description
Catalog Number:
AG01EM78
Chemical Name:
5-(1H-IMIDAZOL-1-YLMETHYL)-1H-PYRROLE-2-CARBALDEHYDE
CAS Number:
118896-48-3
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
MDL Number:
MFCD24556030
IUPAC Name:
5-(imidazol-1-ylmethyl)-1H-pyrrole-2-carbaldehyde
InChI:
InChI=1S/C9H9N3O/c13-6-9-2-1-8(11-9)5-12-4-3-10-7-12/h1-4,6-7,11H,5H2
InChI Key:
JXYMQLUDNFTXSH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc([nH]1)Cn1cncc1
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties