Name: Name:methyl 2-(2-cyanoethyl)-4,4-dimethyl-3-oxopentanoate
Brand: Angene
SKU: AG019YEF
Rating: 90 (10 reviews)

methyl 2-(2-cyanoethyl)-4,4-dimethyl-3-oxopentanoate

CAS No.:

1384429-23-5

Catalog Number:

AG019YEF

Molecular Formula:

C11H17NO3

Molecular Weight:

211.2576

Catalog Number:

AG019YEF

Chemical Name:

methyl 2-(2-cyanoethyl)-4,4-dimethyl-3-oxopentanoate

CAS Number:

1384429-23-5

Molecular Formula:

C11H17NO3

Molecular Weight:

211.2576

MDL Number:

MFCD22196392

IUPAC Name:

methyl 2-(2-cyanoethyl)-4,4-dimethyl-3-oxopentanoate

InChI:

InChI=1S/C11H17NO3/c1-11(2,3)9(13)8(6-5-7-12)10(14)15-4/h8H,5-6H2,1-4H3

InChI Key:

OBAIUDWEBDTTHB-UHFFFAOYSA-N

SMILES:

N#CCCC(C(=O)C(C)(C)C)C(=O)OC

Complexity:

293

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

211.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

211.261g/mol

Monoisotopic Mass:

211.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5