4-Isopropylphenylacetic Acid - CAS 4476-28-2

Catalog:	BB025707
Product Name:	4-Isopropylphenylacetic Acid
CAS:	4476-28-2
Synonyms:	2-(4-propan-2-ylphenyl)acetic acid; 2-(4-propan-2-ylphenyl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(4-propan-2-ylphenyl)acetic acid
Description:	4-Isopropylphenylacetic Acid (CAS# 4476-28-2) is a useful research chemical.
Molecular Weight:	178.23
Molecular Formula:	C11H14O2
Canonical SMILES:	CC(C)C1=CC=C(C=C1)CC(=O)O
InChI:	InChI=1S/C11H14O2/c1-8(2)10-5-3-9(4-6-10)7-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
InChI Key:	RERBQXVRXYCGLT-UHFFFAOYSA-N
Boiling Point:	295 °C at 760 mmHg
Density:	1.067 g/cm³
MDL:	MFCD00041035
LogP:	2.43710

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GHS Hazard Statement:	H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.099379685
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	178.099379685
Rotatable Bond Count:	3
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6