Name: Name:2-Butanone, 1-(1,3-benzodioxol-5-yl)-
Brand: Angene
SKU: AG002LW2
Rating: 90 (10 reviews)

2-Butanone, 1-(1,3-benzodioxol-5-yl)-

CAS No.:

23023-13-4

Catalog Number:

AG002LW2

Molecular Formula:

C11H12O3

Molecular Weight:

192.2112

Catalog Number:

AG002LW2

Chemical Name:

2-Butanone, 1-(1,3-benzodioxol-5-yl)-

CAS Number:

23023-13-4

Molecular Formula:

C11H12O3

Molecular Weight:

192.2112

MDL Number:

MFCD02093417

IUPAC Name:

1-(1,3-benzodioxol-5-yl)butan-2-one

InChI:

InChI=1S/C11H12O3/c1-2-9(12)5-8-3-4-10-11(6-8)14-7-13-10/h3-4,6H,2,5,7H2,1H3

InChI Key:

SWKXHWCUDGJLNA-UHFFFAOYSA-N

SMILES:

CCC(=O)Cc1ccc2c(c1)OCO2

EC Number:

245-384-2

Complexity:

215

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

192.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

192.214g/mol

Monoisotopic Mass:

192.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: