Name: Name:ethyl 2-cyano-2-methyl-3-(pyridin-4-yl)propanoate
Brand: Angene
SKU: AG01A101
Rating: 90 (10 reviews)

ethyl 2-cyano-2-methyl-3-(pyridin-4-yl)propanoate

CAS No.:

1423033-94-6

Catalog Number:

AG01A101

Molecular Formula:

C12H14N2O2

Molecular Weight:

218.2518

Catalog Number:

AG01A101

Chemical Name:

ethyl 2-cyano-2-methyl-3-(pyridin-4-yl)propanoate

CAS Number:

1423033-94-6

Molecular Formula:

C12H14N2O2

Molecular Weight:

218.2518

MDL Number:

MFCD22565859

IUPAC Name:

ethyl 2-cyano-2-methyl-3-pyridin-4-ylpropanoate

InChI:

InChI=1S/C12H14N2O2/c1-3-16-11(15)12(2,9-13)8-10-4-6-14-7-5-10/h4-7H,3,8H2,1-2H3

InChI Key:

XMLURGUDYJVFPJ-UHFFFAOYSA-N

SMILES:

CCOC(=O)C(Cc1ccncc1)(C#N)C

Complexity:

289

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

218.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

218.256g/mol

Monoisotopic Mass:

218.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7