3-(4-hydroxyphenyl)-2-oxo-2H-chromene-6-carbaldehyde

Compound Structure:

Synonyms:

4-hydroxy-2-oxo-2H-chromene-3-carbaldehyde;51751-34-94-hydroxy-2-oxochromene-3-carbaldehyde;4-hydroxy-3-formylcoumarin;3-formyl-4-hydroxycoumarin;(3Z)-3-(hydroxymethylidene)chromene-2,4-dione

Compound ID:

NMPC-298

PubChem ID:

135438098

Molecular Formula:

C10H6O4

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=O)O2)C=O)O

InChIKey:

WNIIGYLAWCFYOW-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

• H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	190.15 g/mol
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	190.02660867 g/mol
Monoisotopic Mass	190.02660867 g/mol
Topological Polar Surface Area	63.6Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	305
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Aspilia africana

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