Name: Name:2-(1,3-dioxaindan-5-yl)-2-methylpropanenitrile
Brand: Angene
SKU: AG01EJRA
Rating: 90 (10 reviews)

2-(1,3-dioxaindan-5-yl)-2-methylpropanenitrile

CAS No.:

39053-79-7

Catalog Number:

AG01EJRA

Molecular Formula:

C11H11NO2

Molecular Weight:

189.2105

Catalog Number:

AG01EJRA

Chemical Name:

2-(1,3-dioxaindan-5-yl)-2-methylpropanenitrile

CAS Number:

39053-79-7

Molecular Formula:

C11H11NO2

Molecular Weight:

189.2105

MDL Number:

MFCD11036597

IUPAC Name:

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

InChI:

InChI=1S/C11H11NO2/c1-11(2,6-12)8-3-4-9-10(5-8)14-7-13-9/h3-5H,7H2,1-2H3

InChI Key:

CBBJHDSNBQSHIN-UHFFFAOYSA-N

SMILES:

N#CC(c1ccc2c(c1)OCO2)(C)C

Complexity:

266

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

189.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

189.214g/mol

Monoisotopic Mass:

189.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5