Home Carboxys 5H,6H,7H,8H,9H-[1,2,3,4]tetrazolo[1,5-a]azepine-7-carboxylic acid

5H,6H,7H,8H,9H-[1,2,3,4]tetrazolo[1,5-a]azepine-7-carboxylic acid

CAS No.:
1909316-22-8
Catalog Number:
AG01C2ZA
Molecular Formula:
C7H10N4O2
Molecular Weight:
182.1799
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Product Description
Catalog Number:
AG01C2ZA
Chemical Name:
5H,6H,7H,8H,9H-[1,2,3,4]tetrazolo[1,5-a]azepine-7-carboxylic acid
CAS Number:
1909316-22-8
Molecular Formula:
C7H10N4O2
Molecular Weight:
182.1799
MDL Number:
MFCD29762761
IUPAC Name:
6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-7-carboxylic acid
InChI:
InChI=1S/C7H10N4O2/c12-7(13)5-1-2-6-8-9-10-11(6)4-3-5/h5H,1-4H2,(H,12,13)
InChI Key:
BARXHIOTWFVOAL-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCn2c(CC1)nnn2
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.08g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.183g/mol
Monoisotopic Mass:
182.08g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties