2-(4-Formylphenoxy)propanoic acid - CAS 51264-78-9

Catalog:	BB027384
Product Name:	2-(4-Formylphenoxy)propanoic acid
CAS:	51264-78-9
Synonyms:	2-(4-formylphenoxy)propanoic acid

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Computed Properties

IUPAC Name:	2-(4-formylphenoxy)propanoic acid
Description:	2-(4-Formylphenoxy)propanoic acid (CAS# 51264-78-9) is a useful research chemical.
Molecular Weight:	194.18
Molecular Formula:	C10H10O4
Canonical SMILES:	CC(C(=O)O)OC1=CC=C(C=C1)C=O
InChI:	InChI=1S/C10H10O4/c1-7(10(12)13)14-9-4-2-8(6-11)3-5-9/h2-7H,1H3,(H,12,13)
InChI Key:	OIQBPASRUVCUAN-UHFFFAOYSA-N
Boiling Point:	371 °C at 760 mmHg
Purity:	95 %
Density:	1.268 g/cm³
MDL:	MFCD03850823
LogP:	1.35100

Publication Number	Title	Priority Date
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
EP-2558577-B1	Bi-functional complexes and methods for making and using such complexes	20100416
EP-3540059-A1	Bi-functional complexes and methods for making and using such complexes	20100416
US-2013281324-A1	Bi-functinal complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416

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GHS Hazard Statement:	H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P316, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	206
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.0579088
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	194.0579088
Rotatable Bond Count:	4
Topological Polar Surface Area:	63.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1