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methyl 2H-1,2,3-triazole-4-carboxylate

methyl 2H-1,2,3-triazole-4-carboxylate

CAS: 4967-77-5

Formula: C4H5N3O2

SMILES: COC(=O)C1=NNN=C1

IUPAC: methyl 2H-1,2,3-triazole-4-carboxylate

InChI: InChI=1S/C4H5N3O2/c1-9-4(8)3-2-5-7-6-3/h2H,1H3,(H,5,6,7)

Composition: C (37.80%), H (3.97%), N (33.06%), O (25.17%)

Molar Mass: 127.103

Atom Count: 14

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 127.038176413
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey FZXQUCUWEZQIHL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 30.33
Topological Polar Surface Area 67.87
Polarizability 10.84
Ring Count 1
Rotatable Bond Count 2

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