2-Hydroxy-5-isopropylbenzoic Acid - CAS 31589-71-6

Name: 2-Hydroxy-5-isopropylbenzoic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020987
Product Name:	2-Hydroxy-5-isopropylbenzoic Acid
CAS:	31589-71-6
Synonyms:	2-hydroxy-5-propan-2-ylbenzoic acid; 2-hydroxy-5-propan-2-ylbenzoic acid

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Computed Properties

IUPAC Name:	2-hydroxy-5-propan-2-ylbenzoic acid
Description:	2-Hydroxy-5-isopropylbenzoic Acid (CAS# 31589-71-6) is a useful research chemical.
Molecular Weight:	180.20
Molecular Formula:	C10H12O3
Canonical SMILES:	CC(C)C1=CC(=C(C=C1)O)C(=O)O
InChI:	InChI=1S/C10H12O3/c1-6(2)7-3-4-9(11)8(5-7)10(12)13/h3-6,11H,1-2H3,(H,12,13)
InChI Key:	XAISONUNKQTASN-UHFFFAOYSA-N
LogP:	2.21380

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
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[87-88-7]C6H2Cl2O4
Chloranilic acid
[17746-05-3]C11H21ClO
Undecanoyl chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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GHS Hazard Statement:	H302 (100%): 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

Publication Number	Title	Priority Date
CN-112546883-A	Polyelectrolyte, preparation and application thereof, polyelectrolyte ultrafiltration membrane, preparation and application thereof	20201118
WO-2020027304-A1	Novel carotenoid-related derivatives, and salts, esters, or amides thereof	20180801
US-2021008045-A1	Panicinotam derivative, preparation method and use thereof	20170324
US-11040028-B2	Penicinotam derivative, preparation method and use thereof	20170324
US-2018243245-A1	Lrh-1 modulators	20150910

Complexity:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.078644241
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	180.078644241
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5