2-(2-Methoxyphenyl)acetaldehyde - CAS 33567-59-8

Catalog:	BB021778
Product Name:	2-(2-Methoxyphenyl)acetaldehyde
CAS:	33567-59-8
Synonyms:	2-(2-methoxyphenyl)acetaldehyde; 2-(2-methoxyphenyl)acetaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2-(2-methoxyphenyl)acetaldehyde
Description:	2-(2-Methoxyphenyl)acetaldehyde (CAS# 33567-59-8) is a useful research chemical.
Molecular Weight:	150.17
Molecular Formula:	C9H10O2
Canonical SMILES:	COC1=CC=CC=C1CC=O
InChI:	InChI=1S/C9H10O2/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5,7H,6H2,1H3
InChI Key:	VKQKGJHUFQGOIX-UHFFFAOYSA-N
Boiling Point:	236.2 °C at 760 mmHg
Density:	1.045 g/cm³
MDL:	MFCD00072185
LogP:	1.43660

Publication Number	Title	Priority Date
WO-2020146636-A1	Compounds and methods for treating or preventing heart failure	20190109
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EP-3894416-A1	Ferroportin inhibitors and methods of use	20181213
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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	123
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.068079557
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	150.068079557
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4