Home Carboxys 1-(oxolan-3-yl)-1H-1,2,3-triazole-4-carboxylic acid

1-(oxolan-3-yl)-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:
1341881-15-9
Catalog Number:
AG01AF03
Molecular Formula:
C7H9N3O3
Molecular Weight:
183.1647
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Product Description
Catalog Number:
AG01AF03
Chemical Name:
1-(oxolan-3-yl)-1H-1,2,3-triazole-4-carboxylic acid
CAS Number:
1341881-15-9
Molecular Formula:
C7H9N3O3
Molecular Weight:
183.1647
MDL Number:
MFCD18366505
IUPAC Name:
1-(oxolan-3-yl)triazole-4-carboxylic acid
InChI:
InChI=1S/C7H9N3O3/c11-7(12)6-3-10(9-8-6)5-1-2-13-4-5/h3,5H,1-2,4H2,(H,11,12)
InChI Key:
LYHIKNKEQITTAB-UHFFFAOYSA-N
SMILES:
OC(=O)c1nnn(c1)C1COCC1
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.064g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.167g/mol
Monoisotopic Mass:
183.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties