2-(4-Methoxyphenyl)acetaldehyde - CAS 5703-26-4

Catalog:	BB029566
Product Name:	2-(4-Methoxyphenyl)acetaldehyde
CAS:	5703-26-4
Synonyms:	2-(4-methoxyphenyl)acetaldehyde; 2-(4-methoxyphenyl)acetaldehyde

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Computed Properties

IUPAC Name:	2-(4-methoxyphenyl)acetaldehyde
Description:	2-(4-Methoxyphenyl)acetaldehyde (CAS# 5703-26-4) is a useful research chemical.
Molecular Weight:	150.17
Molecular Formula:	C9H10O2
Canonical SMILES:	COC1=CC=C(C=C1)CC=O
InChI:	InChI=1S/C9H10O2/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5,7H,6H2,1H3
InChI Key:	NRIVMXXOUOBRAG-UHFFFAOYSA-N
Boiling Point:	255.5 °C at 760 mmHg
Density:	1.045 g/cm³
MDL:	MFCD02261769
LogP:	1.43660

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PMID	Publication Date	Title	Journal
14535817	20031017	A facile asymmetric route to (-)-aphanorphine	The Journal of organic chemistry

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Carbonyl Compounds

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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:	115
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