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Home Other Building Blocks 3-(1H-1,3-benzodiazol-2-yl)-2,2-dimethylpropanoic acid

3-(1H-1,3-benzodiazol-2-yl)-2,2-dimethylpropanoic acid

CAS No.:
95242-09-4
Catalog Number:
AG01B7OT
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
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Product Description
Catalog Number:
AG01B7OT
Chemical Name:
3-(1H-1,3-benzodiazol-2-yl)-2,2-dimethylpropanoic acid
CAS Number:
95242-09-4
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD05625042
IUPAC Name:
3-(1H-benzimidazol-2-yl)-2,2-dimethylpropanoic acid
InChI:
InChI=1S/C12H14N2O2/c1-12(2,11(15)16)7-10-13-8-5-3-4-6-9(8)14-10/h3-6H,7H2,1-2H3,(H,13,14)(H,15,16)
InChI Key:
YJOYXRINXOHSNM-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1nc2c([nH]1)cccc2)(C)C
Properties
Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties