4-hydroxy-3-methoxy-benzaldehyde

Compound Structure:

Synonyms:

Vanillin;4-Hydroxy-3-methoxybenzaldehyde;121-33-5;Vanillaldehyde;Vanillic aldehyde;p-Vanillin;Lioxin;Vanilline;3-Methoxy-4-hydroxybenzaldehyde;4-Hydroxy-m-anisaldehyde;2-Methoxy-4-formylphenol;Zimco

Compound ID:

NMPC-414

PubChem ID:

1183

Molecular Formula:

C8H8O3

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)O

InChIKey:

MWOOGOJBHIARFG-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	152.15 g/mol
XLogP3	1.2
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	46.5Å²
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 off-white solid with a pleasant odor of vanilla; [Merck Index] Light yellow solid; [Sigma-Aldrich MSDS]
Boiling Point	545 °F at 760 mmHg (NTP, 1992)
Melting Point	178 to 181 °F (NTP, 1992)
Density	1.056 at 68 °F (NTP, 1992)
Solubility	In water >2%; in ethanol is 1:2 vanillin:ethanol. Freely soluble in chloroform, ether, in solutions of fixed alkali hydroxides; solutions in glycerin and hot water.
Vapor Pressure	1 mmHg at 225 °F (NTP, 1992)

Source: PubChem

Source Species:

Parkia biglobosa

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