Home Carboxys 1-(1H-Tetrazol-1-yl)cyclohexanecarboxylic acid

1-(1H-Tetrazol-1-yl)cyclohexanecarboxylic acid

CAS No.:
1206122-86-2
Catalog Number:
AG00HFJ7
Molecular Formula:
C8H12N4O2
Molecular Weight:
196.2065
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Product Description
Catalog Number:
AG00HFJ7
Chemical Name:
1-(1H-Tetrazol-1-yl)cyclohexanecarboxylic acid
CAS Number:
1206122-86-2
Molecular Formula:
C8H12N4O2
Molecular Weight:
196.2065
MDL Number:
MFCD13176377
IUPAC Name:
1-(tetrazol-1-yl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C8H12N4O2/c13-7(14)8(4-2-1-3-5-8)12-6-9-10-11-12/h6H,1-5H2,(H,13,14)
InChI Key:
SRMRVJLGPHYGDL-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCCCC1)n1cnnn1
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.096g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.21g/mol
Monoisotopic Mass:
196.096g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties