Home Other Building Blocks 2-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)-3-phenylpropanoic acid

2-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)-3-phenylpropanoic acid

CAS No.:
109734-83-0
Catalog Number:
AG01AJCW
Molecular Formula:
C11H12N4O2
Molecular Weight:
232.2386
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Product Description
Catalog Number:
AG01AJCW
Chemical Name:
2-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)-3-phenylpropanoic acid
CAS Number:
109734-83-0
Molecular Formula:
C11H12N4O2
Molecular Weight:
232.2386
MDL Number:
MFCD19282299
IUPAC Name:
2-(5-methyltetrazol-1-yl)-3-phenylpropanoic acid
InChI:
InChI=1S/C11H12N4O2/c1-8-12-13-14-15(8)10(11(16)17)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,16,17)
InChI Key:
IKDRNMRRAQQCEX-UHFFFAOYSA-N
SMILES:
OC(=O)C(n1nnnc1C)Cc1ccccc1
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.096g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.243g/mol
Monoisotopic Mass:
232.096g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties