Name: Name:1(3H)-Isobenzofuranone, 3,3-dimethyl-
Brand: Angene
SKU: AG001YD7
Rating: 90 (10 reviews)

1(3H)-Isobenzofuranone, 3,3-dimethyl-

CAS No.:

1689-09-4

Catalog Number:

AG001YD7

Molecular Formula:

C10H10O2

Molecular Weight:

162.1852

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Product Description

Catalog Number:

AG001YD7

Chemical Name:

1(3H)-Isobenzofuranone, 3,3-dimethyl-

CAS Number:

1689-09-4

Molecular Formula:

C10H10O2

Molecular Weight:

162.1852

MDL Number:

MFCD00222552

IUPAC Name:

3,3-dimethyl-2-benzofuran-1-one

InChI:

InChI=1S/C10H10O2/c1-10(2)8-6-4-3-5-7(8)9(11)12-10/h3-6H,1-2H3

InChI Key:

YFBZUWUJSCLVST-UHFFFAOYSA-N

SMILES:

O=C1OC(c2c1cccc2)(C)C

EC Number:

216-878-5

NSC Number:

5114

Properties

Complexity:

208

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

162.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

162.188g/mol

Monoisotopic Mass:

162.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
3,3-Dimethyl-2-benzofuran-1(3H)-one.	Acta crystallographica. Section E, Structure reports online 20120101

Properties