Home Aldehydes 1H-Imidazole-4-carboxaldehyde, 5-(1,1-dimethylethyl)- (9CI)

1H-Imidazole-4-carboxaldehyde, 5-(1,1-dimethylethyl)- (9CI)

CAS No.:
714273-83-3
Catalog Number:
AG00FGWH
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
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Product Description
Catalog Number:
AG00FGWH
Chemical Name:
1H-Imidazole-4-carboxaldehyde, 5-(1,1-dimethylethyl)- (9CI)
CAS Number:
714273-83-3
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD14583325
IUPAC Name:
5-tert-butyl-1H-imidazole-4-carbaldehyde
InChI:
InChI=1S/C8H12N2O/c1-8(2,3)7-6(4-11)9-5-10-7/h4-5H,1-3H3,(H,9,10)
InChI Key:
FSTXHTKEZGSDNN-UHFFFAOYSA-N
SMILES:
O=Cc1nc[nH]c1C(C)(C)C
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties