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Home Carboxys methyl 1-(pyrrolidin-3-yl)-1H-1,2,3-triazole-4-carboxylate hydrochloride

methyl 1-(pyrrolidin-3-yl)-1H-1,2,3-triazole-4-carboxylate hydrochloride

CAS No.:
1461704-81-3
Catalog Number:
AG01ABQB
Molecular Formula:
C8H13ClN4O2
Molecular Weight:
232.6674
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Product Description
Catalog Number:
AG01ABQB
Chemical Name:
methyl 1-(pyrrolidin-3-yl)-1H-1,2,3-triazole-4-carboxylate hydrochloride
CAS Number:
1461704-81-3
Molecular Formula:
C8H13ClN4O2
Molecular Weight:
232.6674
MDL Number:
MFCD26407685
IUPAC Name:
methyl 1-pyrrolidin-3-yltriazole-4-carboxylate;hydrochloride
InChI:
InChI=1S/C8H12N4O2.ClH/c1-14-8(13)7-5-12(11-10-7)6-2-3-9-4-6;/h5-6,9H,2-4H2,1H3;1H
InChI Key:
XHKAZHPSAVJBKC-UHFFFAOYSA-N
SMILES:
COC(=O)c1nnn(c1)C1CNCC1.Cl
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.073g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
232.668g/mol
Monoisotopic Mass:
232.073g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties