Home Carboxys methyl 4-(hydroxymethyl)-1H-1,2,3-triazole-5-carboxylate

methyl 4-(hydroxymethyl)-1H-1,2,3-triazole-5-carboxylate

CAS No.:
2092710-47-7
Catalog Number:
AG01DW7J
Molecular Formula:
C5H7N3O3
Molecular Weight:
157.1274
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Product Description
Catalog Number:
AG01DW7J
Chemical Name:
methyl 4-(hydroxymethyl)-1H-1,2,3-triazole-5-carboxylate
CAS Number:
2092710-47-7
Molecular Formula:
C5H7N3O3
Molecular Weight:
157.1274
MDL Number:
MFCD31617260
IUPAC Name:
methyl 5-(hydroxymethyl)-2H-triazole-4-carboxylate
InChI:
InChI=1S/C5H7N3O3/c1-11-5(10)4-3(2-9)6-8-7-4/h9H,2H2,1H3,(H,6,7,8)
InChI Key:
SWPNZYZVKQOSMO-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]nnc1CO
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.049g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
157.129g/mol
Monoisotopic Mass:
157.049g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
Properties