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(4-Hydroxyphenyl)acetic acid

ChemSpider ID: 13850772
Molecular Formula: C₈H₈O₃
Monoisotopic mass: 152.047348 Da
Systematic name

(4-Hydroxyphenyl)acetic acid
SMILES and InChIs

SMILES:

Oc1ccc(CC(O)=O)cc1 Copied

Std. InChI:

InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) Copied

Std. InChIKey:

XQXPVVBIMDBYFF-UHFFFAOYSA-N Copied

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Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	0.692	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	-0.39	ACD/LogD (pH 7.4):	-2.19
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 5.5):	4.70	ACD/KOC (pH 7.4):	1.00
#H bond acceptors:	3	#H bond donors:	2
#Freely Rotating Bonds:	3	Polar Surface Area:	57.53 Å²
Index of Refraction:	1.596	Molar Refractivity:	39.248 cm³
Molar Volume:	115.306 cm³	Polarizability:	15.559 10^-24cm³
Surface Tension:	59.8230018615723 dyne/cm	Density:	1.32 g/cm³
Flash Point:	177.631 °C	Enthalpy of Vaporization:	62.351 kJ/mol
Boiling Point:	346.627 °C at 760 mmHg	Vapour Pressure:	0 mmHg at 25°C

Click to predict properties on the Chemicalize site

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