Home Aldehydes 2-Methyl-2H-tetrazole-5-carbaldehyde

2-Methyl-2H-tetrazole-5-carbaldehyde

CAS No.:
55408-47-4
Catalog Number:
AG00DBIQ
Molecular Formula:
C3H4N4O
Molecular Weight:
112.0901
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Product Description
Catalog Number:
AG00DBIQ
Chemical Name:
2-Methyl-2H-tetrazole-5-carbaldehyde
CAS Number:
55408-47-4
Molecular Formula:
C3H4N4O
Molecular Weight:
112.0901
MDL Number:
MFCD24674276
IUPAC Name:
2-methyltetrazole-5-carbaldehyde
InChI:
InChI=1S/C3H4N4O/c1-7-5-3(2-8)4-6-7/h2H,1H3
InChI Key:
PPAQSZMPTHGKSE-UHFFFAOYSA-N
SMILES:
O=Cc1nnn(n1)C
Properties
Complexity:
95.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.039g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.092g/mol
Monoisotopic Mass:
112.039g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties