2,4-dimethylbenzaldehyde

Compound Structure:

Synonyms:

2,4-Dimethylbenzaldehyde;15764-16-6;Benzaldehyde, 2,4-dimethyl-;2,4-dimethyl benzaldehyde;2,4-Xylylaldehyde;1-Formyl-2,4-dimethylbenzene;2,4-Dimethylbenzenecarboxaldehyde;2,4-dimethyl-benzaldehyde

Compound ID:

NMPC-179

PubChem ID:

61814

Molecular Formula:

C9H10O

Canonical SMILES:

CC1=CC(=C(C=C1)C=O)C

InChIKey:

GISVICWQYMUPJF-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

• H302 (95.26%): Harmful if swallowed [Warning Acute toxicity, oral]

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	134.17 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	134.073164938 g/mol
Monoisotopic Mass	134.073164938 g/mol
Topological Polar Surface Area	17.1Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	120
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:

Tecoma stans

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