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Home > Aldehydes > 118896-48-3
118896-48-3 | 5-(1H-IMIDAZOL-1-YLMETHYL)-1H-PYRROLE-2-CARBALDEHYDE
CAS No: 118896-48-3 Catalog No: AG01EM78 MDL No:MFCD24556030
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
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