Methyl 4-(hydroxymethyl)benzoate - CAS 6908-41-4

Catalog:	BB033693
Product Name:	Methyl 4-(hydroxymethyl)benzoate
CAS:	6908-41-4
Synonyms:	methyl 4-(hydroxymethyl)benzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 4-(hydroxymethyl)benzoate
Description:	Methyl 4-(hydroxymethyl)benzoate (CAS# 6908-41-4) is a useful research chemical.
Molecular Weight:	166.17
Molecular Formula:	C9H10O3
Canonical SMILES:	COC(=O)C1=CC=C(C=C1)CO
InChI:	InChI=1S/C9H10O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5,10H,6H2,1H3
InChI Key:	VBWFYEFYHJRJER-UHFFFAOYSA-N
Boiling Point:	157 °C / 5 mmHg
Melting Point:	47-50 °C (lit.)
Purity:	95 %
Density:	1.177 g/cm³
Appearance:	White powder or crystals
MDL:	MFCD00009984
LogP:	0.96550

Publication Number	Title	Priority Date
CN-113461510-A	Aromatic acid compound and preparation method thereof	20210804
CN-113354525-A	Method for preparing carbonyl compound by oxidizing alcohol	20210529
KR-20210081286-A	Novel Amino Aryl Derivatives and Their Use as Inhibitors against Diacylglycerol Acyltransferase 2	20191223
WO-2021133035-A1	Novel amino aryl derivative useful as diacylglycerol acyltransferase 2 inhibitor and use thereof	20191223
WO-2021051034-A1	Ras protein degraders, pharmaceutical compositions thereof, and their therapeutic applications	20190913

PMID	Publication Date	Title	Journal
18225893	20080317	Factors affecting the selectivity of the oxidation of methyl p-toluate by cobalt(III)	Inorganic chemistry

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Carbonyl Compounds

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N-Methyl-N-propylcarbamoyl Chloride
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.062994177
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.062994177
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4