Home Carboxys 1-cyclopentyl-4,5,6,7-tetrahydro-1H-1,2,3-benzotriazole-6-carboxylic acid

1-cyclopentyl-4,5,6,7-tetrahydro-1H-1,2,3-benzotriazole-6-carboxylic acid

CAS No.:
2060030-50-2
Catalog Number:
AG01BUS3
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
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Product Description
Catalog Number:
AG01BUS3
Chemical Name:
1-cyclopentyl-4,5,6,7-tetrahydro-1H-1,2,3-benzotriazole-6-carboxylic acid
CAS Number:
2060030-50-2
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
MDL Number:
MFCD30497555
IUPAC Name:
3-cyclopentyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxylic acid
InChI:
InChI=1S/C12H17N3O2/c16-12(17)8-5-6-10-11(7-8)15(14-13-10)9-3-1-2-4-9/h8-9H,1-7H2,(H,16,17)
InChI Key:
QCVDTIKTDICWMG-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCc2c(C1)n(nn2)C1CCCC1
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.132g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.287g/mol
Monoisotopic Mass:
235.132g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties