Home Aldehydes 1H-Imidazole-5-carboxaldehyde,1-propyl-(9CI)

1H-Imidazole-5-carboxaldehyde,1-propyl-(9CI)

CAS No.:
199192-25-1
Catalog Number:
AG00AN3N
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
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Product Description
Catalog Number:
AG00AN3N
Chemical Name:
1H-Imidazole-5-carboxaldehyde,1-propyl-(9CI)
CAS Number:
199192-25-1
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
MDL Number:
MFCD14584644
IUPAC Name:
3-propylimidazole-4-carbaldehyde
InChI:
InChI=1S/C7H10N2O/c1-2-3-9-6-8-4-7(9)5-10/h4-6H,2-3H2,1H3
InChI Key:
CZNHVLOXIAQFJC-UHFFFAOYSA-N
SMILES:
CCCn1cncc1C=O
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties