Home Other Building Blocks 1-(OXETAN-3-YL)TRIAZOLE-4-CARBOXYLIC ACID

1-(OXETAN-3-YL)TRIAZOLE-4-CARBOXYLIC ACID

CAS No.:
1707403-03-9
Catalog Number:
AG01EK6C
Molecular Formula:
C6H7N3O3
Molecular Weight:
169.1381
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Product Description
Catalog Number:
AG01EK6C
Chemical Name:
1-(OXETAN-3-YL)TRIAZOLE-4-CARBOXYLIC ACID
CAS Number:
1707403-03-9
Molecular Formula:
C6H7N3O3
Molecular Weight:
169.1381
MDL Number:
MFCD21849149
IUPAC Name:
1-(oxetan-3-yl)triazole-4-carboxylic acid
InChI:
InChI=1S/C6H7N3O3/c10-6(11)5-1-9(8-7-5)4-2-12-3-4/h1,4H,2-3H2,(H,10,11)
InChI Key:
XNZMBOFLVOQECH-UHFFFAOYSA-N
SMILES:
OC(=O)c1nnn(c1)C1COC1
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.049g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.14g/mol
Monoisotopic Mass:
169.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties