Name: Name:3,3-dimethyl-1-(pyridin-4-yl)butan-2-one
Brand: Angene
SKU: AG01A4CX
Rating: 90 (10 reviews)

3,3-dimethyl-1-(pyridin-4-yl)butan-2-one

CAS No.:

6311-86-0

Catalog Number:

AG01A4CX

Molecular Formula:

C11H15NO

Molecular Weight:

177.2429

Catalog Number:

AG01A4CX

Chemical Name:

3,3-dimethyl-1-(pyridin-4-yl)butan-2-one

CAS Number:

6311-86-0

Molecular Formula:

C11H15NO

Molecular Weight:

177.2429

MDL Number:

MFCD16786374

IUPAC Name:

3,3-dimethyl-1-pyridin-4-ylbutan-2-one

InChI:

InChI=1S/C11H15NO/c1-11(2,3)10(13)8-9-4-6-12-7-5-9/h4-7H,8H2,1-3H3

InChI Key:

LHLKBBIYRNFVSS-UHFFFAOYSA-N

SMILES:

O=C(C(C)(C)C)Cc1ccncc1

NSC Number:

42640

Complexity:

175

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

177.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

177.247g/mol

Monoisotopic Mass:

177.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

30A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9