Home Other Building Blocks 2-[5-(furan-2-yl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid

2-[5-(furan-2-yl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid

CAS No.:
36855-12-6
Catalog Number:
AG019LEU
Molecular Formula:
C7H6N4O3
Molecular Weight:
194.1475
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Product Description
Catalog Number:
AG019LEU
Chemical Name:
2-[5-(furan-2-yl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid
CAS Number:
36855-12-6
Molecular Formula:
C7H6N4O3
Molecular Weight:
194.1475
MDL Number:
MFCD09971376
IUPAC Name:
2-[5-(furan-2-yl)tetrazol-2-yl]acetic acid
InChI:
InChI=1S/C7H6N4O3/c12-6(13)4-11-9-7(8-10-11)5-2-1-3-14-5/h1-3H,4H2,(H,12,13)
InChI Key:
UFBBQMVELHQQJM-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1nnc(n1)c1ccco1
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.044g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.15g/mol
Monoisotopic Mass:
194.044g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties