5-Methylsalicylic acid - CAS 89-56-5

Name: 5-Methylsalicylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB039528
Product Name:	5-Methylsalicylic acid
CAS:	89-56-5
Synonyms:	2-hydroxy-5-methylbenzoic acid

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Computed Properties

IUPAC Name:	2-hydroxy-5-methylbenzoic acid
Description:	Chiral ligand for metal mediated asymmetric catalysis.
Molecular Weight:	152.15
Molecular Formula:	C8H8O3
Canonical SMILES:	CC1=CC(=C(C=C1)O)C(=O)O
InChI:	InChI=1S/C8H8O3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)
InChI Key:	DLGBEGBHXSAQOC-UHFFFAOYSA-N
Boiling Point:	313 °C
Purity:	98 %
Density:	1.31 g/cm³ (20 °C)
MDL:	MFCD00002461
LogP:	1.39880

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

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GHS Hazard Statement:	H302 (97.92%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
22272582	20120223	Quantitative correlation of counterion (X) affinity to ionic micelles and X- and temperature-induced micellar growth (spherical-wormlike micelles-vesicles) for X = 5-methyl- and 5-methoxysalicylate ions	The journal of physical chemistry. B
21438674	20111001	Fluorescence-based high-throughput screening assay for drug interactions with UGT1A6	Assay and drug development technologies
21456529	20110501	Synthesis of gadolinium nanoscale metal-organic framework with hydrotropes: manipulation of particle size and magnetic resonance imaging capability	ACS applied materials & interfaces
21189019	20110127	Identifying chelators for metalloprotein inhibitors using a fragment-based approach	Journal of medicinal chemistry
16704268	20060524	Self-assembly of surfactant vesicles that transform into viscoelastic wormlike micelles upon heating	Journal of the American Chemical Society

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.047344113
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	152.047344113
Rotatable Bond Count:	1
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8