CAS 4687-25-6 | Benzofuran-3-carbaldehyde | CAS Number 4687-25-6

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4687-25-6 | Benzofuran-3-carbaldehyde

CAS No: 4687-25-6 Catalog No: AG0034HX MDL No:MFCD03412541

Product Description

Catalog Number:

AG0034HX

Chemical Name:

Benzofuran-3-carbaldehyde

CAS Number:

4687-25-6

Molecular Formula:

C9H6O2

Molecular Weight:

146.1427

MDL Number:

MFCD03412541

IUPAC Name:

1-benzofuran-3-carbaldehyde

InChI:

InChI=1S/C9H6O2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-6H

InChI Key:

XUMWJQJGCFTJOE-UHFFFAOYSA-N

SMILES:

O=Cc1coc2c1cccc2

Properties

Complexity:

156

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

146.037g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

146.145g/mol

Monoisotopic Mass:

146.037g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

30.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Microwave assisted synthesis of novel functionalized hydantoin derivatives and their conversion to 5-(Z) arylidene-4H-imidazoles.	Molecules (Basel, Switzerland) 20110629
Phenolic derivatives from soy flour ethanol extract are potent in vitro quinone reductase (QR) inducing agents.	Journal of agricultural and food chemistry 20081126