Name: Name:ETHYL 3-METHYL-2-(1H-1,2,4-TRIAZOL-3-YL)BUTANOATE
Brand: Angene
SKU: AG01EICM
Rating: 90 (10 reviews)

ETHYL 3-METHYL-2-(1H-1,2,4-TRIAZOL-3-YL)BUTANOATE

CAS No.:

1518749-27-3

Catalog Number:

AG01EICM

Molecular Formula:

C9H15N3O2

Molecular Weight:

197.2343

Catalog Number:

AG01EICM

Chemical Name:

ETHYL 3-METHYL-2-(1H-1,2,4-TRIAZOL-3-YL)BUTANOATE

CAS Number:

1518749-27-3

Molecular Formula:

C9H15N3O2

Molecular Weight:

197.2343

MDL Number:

MFCD21935457

IUPAC Name:

ethyl 3-methyl-2-(1H-1,2,4-triazol-5-yl)butanoate

InChI:

InChI=1S/C9H15N3O2/c1-4-14-9(13)7(6(2)3)8-10-5-11-12-8/h5-7H,4H2,1-3H3,(H,10,11,12)

InChI Key:

KUUOWHGAIJFPOW-UHFFFAOYSA-N

SMILES:

CCOC(=O)C(c1n[nH]cn1)C(C)C

Complexity:

197

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

197.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

197.238g/mol

Monoisotopic Mass:

197.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5