Name: Name:4H-1,2,4-Triazole-3-carboxylicacid,4-methyl-,methylester(9CI)
Brand: Angene
SKU: AG00FGG9
Rating: 90 (10 reviews)

4H-1,2,4-Triazole-3-carboxylicacid,4-methyl-,methylester(9CI)

CAS No.:

68984-31-6

Catalog Number:

AG00FGG9

Molecular Formula:

C5H7N3O2

Molecular Weight:

141.1280

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United States

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Catalog Number:

AG00FGG9

Chemical Name:

4H-1,2,4-Triazole-3-carboxylicacid,4-methyl-,methylester(9CI)

CAS Number:

68984-31-6

Molecular Formula:

C5H7N3O2

Molecular Weight:

141.1280

MDL Number:

MFCD18070734

IUPAC Name:

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

InChI:

InChI=1S/C5H7N3O2/c1-8-3-6-7-4(8)5(9)10-2/h3H,1-2H3

InChI Key:

RPRWOWOXTWYHPD-UHFFFAOYSA-N

SMILES:

COC(=O)c1nncn1C

Complexity:

139

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

141.054g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

141.13g/mol

Monoisotopic Mass:

141.054g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.4