Home Carboxys 2-(propan-2-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole-6-carboxylic acid

2-(propan-2-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole-6-carboxylic acid

CAS No.:
1004620-22-7
Catalog Number:
AG01E97Q
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
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Product Description
Catalog Number:
AG01E97Q
Chemical Name:
2-(propan-2-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole-6-carboxylic acid
CAS Number:
1004620-22-7
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD21875913
IUPAC Name:
2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid
InChI:
InChI=1S/C11H16N2O2/c1-6(2)10-12-8-4-3-7(11(14)15)5-9(8)13-10/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChI Key:
MJAHJHYFXIFVHK-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCc2c(C1)[nH]c(n2)C(C)C
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.121g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
208.261g/mol
Monoisotopic Mass:
208.121g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties