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161500-05-6 | 1H-Imidazole-2-carboxaldehyde,1-propyl-(9CI)
CAS No: 161500-05-6 Catalog No: AG00AD2N MDL No:MFCD06740618
Product Description
Catalog Number:
AG00AD2N
Chemical Name:
1H-Imidazole-2-carboxaldehyde,1-propyl-(9CI)
CAS Number:
161500-05-6
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
MDL Number:
MFCD06740618
IUPAC Name:
1-propylimidazole-2-carbaldehyde
InChI:
InChI=1S/C7H10N2O/c1-2-4-9-5-3-8-7(9)6-10/h3,5-6H,2,4H2,1H3
InChI Key:
COIFMOLQDBIKOF-UHFFFAOYSA-N
SMILES:
CCCn1ccnc1C=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
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