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

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

CAS No.:
1266476-55-4
Catalog Number:
AG01A6SL
Molecular Formula:
C5H8N4O2
Molecular Weight:
156.1426
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Product Description
Catalog Number:
AG01A6SL
Chemical Name:
4-(1H-1,2,3,4-tetrazol-5-yl)butanoic acid
CAS Number:
1266476-55-4
Molecular Formula:
C5H8N4O2
Molecular Weight:
156.1426
MDL Number:
MFCD21909758
IUPAC Name:
4-(2H-tetrazol-5-yl)butanoic acid
InChI:
InChI=1S/C5H8N4O2/c10-5(11)3-1-2-4-6-8-9-7-4/h1-3H2,(H,10,11)(H,6,7,8,9)
InChI Key:
LALQGOMCBXAJNM-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1nnn[nH]1
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.065g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
156.145g/mol
Monoisotopic Mass:
156.065g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties