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

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

CAS No.:
876716-35-7
Catalog Number:
AG01DWRM
Molecular Formula:
C5H8N4O2
Molecular Weight:
156.1426
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Product Description
Catalog Number:
AG01DWRM
Chemical Name:
2-methyl-2-(1H-1,2,3,4-tetrazol-1-yl)propanoic acid
CAS Number:
876716-35-7
Molecular Formula:
C5H8N4O2
Molecular Weight:
156.1426
MDL Number:
MFCD07801125
IUPAC Name:
2-methyl-2-(tetrazol-1-yl)propanoic acid
InChI:
InChI=1S/C5H8N4O2/c1-5(2,4(10)11)9-3-6-7-8-9/h3H,1-2H3,(H,10,11)
InChI Key:
JEKIHOYITFILHU-UHFFFAOYSA-N
SMILES:
OC(=O)C(n1cnnn1)(C)C
Properties
Complexity:
170  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
156.145g/mol
Monoisotopic Mass:
156.065g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties