3-Formyl-4-methylbenzoic Acid - CAS 69526-89-2

Catalog:	BB033856
Product Name:	3-Formyl-4-methylbenzoic Acid
CAS:	69526-89-2
Synonyms:	3-formyl-4-methylbenzoic acid; 3-formyl-4-methylbenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-formyl-4-methylbenzoic acid
Description:	3-Formyl-4-methylbenzoic Acid can be prepared to use against cancer and viral infections. It can also be used as lipid synthesis modulators.
Molecular Weight:	164.16
Molecular Formula:	C9H8O3
Canonical SMILES:	CC1=C(C=C(C=C1)C(=O)O)C=O
InChI:	InChI=1S/C9H8O3/c1-6-2-3-7(9(11)12)4-8(6)5-10/h2-5H,1H3,(H,11,12)
InChI Key:	REPNRLBITGLALU-UHFFFAOYSA-N
LogP:	1.50570

Publication Number	Title	Priority Date
CN-111228212-A	Drug-loaded injectable implantation in-situ hydrogel	20200116
AU-2017356214-A1	Heterocyclic modulators of lipid synthesis	20161111
EP-3538088-A1	Heterocyclic modulators of lipid synthesis	20161111
JP-2019533714-A	Heterocyclic modulators of lipid synthesis	20161111
KR-20190096346-A	Heterocyclic Regulators of Lipid Synthesis	20161111

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[17746-05-3]
Undecanoyl chloride
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.047344113
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.047344113
Rotatable Bond Count:	2
Topological Polar Surface Area:	54.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3