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

3-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)propanoic acid

CAS No.:
26366-02-9
Catalog Number:
AG019XFJ
Molecular Formula:
C10H10N4O2
Molecular Weight:
218.2120
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Product Description
Catalog Number:
AG019XFJ
Chemical Name:
3-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)propanoic acid
CAS Number:
26366-02-9
Molecular Formula:
C10H10N4O2
Molecular Weight:
218.2120
MDL Number:
MFCD09880468
IUPAC Name:
3-(1-phenyltetrazol-5-yl)propanoic acid
InChI:
InChI=1S/C10H10N4O2/c15-10(16)7-6-9-11-12-13-14(9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChI Key:
LXRYKCMSJDQBJU-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1nnnn1c1ccccc1
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.08g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.216g/mol
Monoisotopic Mass:
218.08g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties