Name: Name:1(3H)-Isobenzofuranone, 3-propylidene-
Brand: Angene
SKU: AG001Z49
Rating: 90 (10 reviews)

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

CAS No.:

17369-59-4

Catalog Number:

AG001Z49

Molecular Formula:

C11H10O2

Molecular Weight:

174.1959

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Product Description

Catalog Number:

AG001Z49

Chemical Name:

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

CAS Number:

17369-59-4

Molecular Formula:

C11H10O2

Molecular Weight:

174.1959

MDL Number:

MFCD00051813

IUPAC Name:

(3Z)-3-propylidene-2-benzofuran-1-one

InChI:

InChI=1S/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3/b10-5-

InChI Key:

NGSZDVVHIGAMOJ-YHYXMXQVSA-N

SMILES:

CCC=C1OC(=O)c2c1cccc2

EC Number:

241-402-8

UNII:

LU204L9C7Y

FEMA Number:

2952

Properties

Complexity:

243

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

174.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

174.199g/mol

Monoisotopic Mass:

174.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Synthesis, resolution, and antiplatelet activity of 3-substituted 1(3H)-isobenzofuranone.	Bioorganic & medicinal chemistry letters 20070915

Properties