Name: Name:methyl 2-methyl-2-(1H-1,2,4-triazol-5-yl)propanoate
Brand: Angene
SKU: AG01DW7Y
Rating: 90 (10 reviews)

methyl 2-methyl-2-(1H-1,2,4-triazol-5-yl)propanoate

CAS No.:

2112390-94-8

Catalog Number:

AG01DW7Y

Molecular Formula:

C7H11N3O2

Molecular Weight:

169.1811

Catalog Number:

AG01DW7Y

Chemical Name:

methyl 2-methyl-2-(1H-1,2,4-triazol-5-yl)propanoate

CAS Number:

2112390-94-8

Molecular Formula:

C7H11N3O2

Molecular Weight:

169.1811

MDL Number:

MFCD31616580

IUPAC Name:

methyl 2-methyl-2-(1H-1,2,4-triazol-5-yl)propanoate

InChI:

InChI=1S/C7H11N3O2/c1-7(2,6(11)12-3)5-8-4-9-10-5/h4H,1-3H3,(H,8,9,10)

InChI Key:

GMWVLPJKYLFPBY-UHFFFAOYSA-N

SMILES:

COC(=O)C(c1ncn[nH]1)(C)C

Complexity:

182

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

169.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

169.184g/mol

Monoisotopic Mass:

169.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7