2-Hydroxy-4-methoxybenzaldehyde

2-Hydroxy-4-methoxybenzaldehyde
Compound Structure:
Synonyms: 2-Hydroxy-4-methoxybenzaldehyde;4-Methoxysalicylaldehyde;Benzaldehyde, 2-hydroxy-4-methoxy-;o-Hydroxy-p-methoxybenzaldehyde;4-Methoxysalicyaldehyde;2-Hydroxy-4-methoxy-benzaldehyde;p-Anisaldehyde, 2-hydroxy-;Salicylaldehyde, 4-methoxy-;2-Formyl-5-methoxyp
Compound ID: NMPC-252
PubChem ID:

69600
Molecular Formula: C8H8O3
Canonical SMILES: COC1=CC(=C(C=C1)C=O)O
InChIKey: WZUODJNEIXSNEU-UHFFFAOYSA-N
About the compound:

2-Hroxy-4-methoxybenzaldehyde is a chemical compound that belongs to the group of methoxybenzenes and phenols. It occurs naturally in various organisms such as Tarenna attenuata and Juglans nigra. This compound is an isomer of vanillin and has been used in the synthesis of urolithin M7 through the inverse electron-demand Diels–Alder reaction.

GHS Hazard Statements

• 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

152.15 g/mol

XLogP3

1.5

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

2

Exact Mass

152.047344113 g/mol

Monoisotopic Mass

152.047344113 g/mol

Topological Polar Surface Area

46.5Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

135

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

Physical Description

White or yellow to beige crystal

Density

1.231

Solubility 

Slightly soluble

Source: PubChem
Source Species: Pennisetum purpureum
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