3-Methoxypropionic acid - CAS 2544-06-1

Name: 3-Methoxypropionic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018911
Product Name:	3-Methoxypropionic acid
CAS:	2544-06-1
Synonyms:	Propanoic acid, 3-methoxy-; β-Methoxypropionic acid; m-PEG1-COOH

Technical Data

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Computed Properties

IUPAC Name:	3-methoxypropanoic acid
Description:	m-PEG1-COOH is a non-cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs).
Molecular Weight:	104.10
Molecular Formula:	C4H8O3
Canonical SMILES:	COCCC(=O)O
InChI:	InChI=1S/C4H8O3/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)
InChI Key:	YSIKHBWUBSFBRZ-UHFFFAOYSA-N
Boiling Point:	116°C at 9 mmHg
Purity:	≥95%
Density:	1.108 g/mL at 25°C
Solubility:	Soluble in Chloroform, Methanol
Appearance:	Pale Yellow or Colorless Oily Matter
Storage:	Store at 2-8°C
MDL:	MFCD00042654
LogP:	0.10750

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[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
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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

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Complexity:	60
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	104.047344113
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	104.047344113
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4