Name: Name:2-(Benzo[d][1,3]dioxol-5-yloxy)acetonitrile
Brand: Angene
SKU: AG005YSR
Rating: 90 (10 reviews)

2-(Benzo[d][1,3]dioxol-5-yloxy)acetonitrile

CAS No.:

72955-89-6

Catalog Number:

AG005YSR

Molecular Formula:

C9H7NO3

Molecular Weight:

177.1568

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United States

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Catalog Number:

AG005YSR

Chemical Name:

2-(Benzo[d][1,3]dioxol-5-yloxy)acetonitrile

CAS Number:

72955-89-6

Molecular Formula:

C9H7NO3

Molecular Weight:

177.1568

MDL Number:

MFCD07658437

IUPAC Name:

2-(1,3-benzodioxol-5-yloxy)acetonitrile

InChI:

InChI=1S/C9H7NO3/c10-3-4-11-7-1-2-8-9(5-7)13-6-12-8/h1-2,5H,4,6H2

InChI Key:

QOEUHSPBSQPZEB-UHFFFAOYSA-N

SMILES:

N#CCOc1ccc2c(c1)OCO2

Complexity:

222

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

177.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

177.159g/mol

Monoisotopic Mass:

177.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

51.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3