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4-[(Cyclopropylmethyl)sulfonyl]phenylacetic Acid

4-[(Cyclopropylmethyl)sulfonyl]phenylacetic Acid - CAS 1156165-48-8

Catalog:	BB003587
Product Name:	4-[(Cyclopropylmethyl)sulfonyl]phenylacetic Acid
CAS:	1156165-48-8
Synonyms:	2-[4-(cyclopropylmethylsulfonyl)phenyl]acetic acid; 2-[4-(cyclopropylmethylsulfonyl)phenyl]acetic acid

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Computed Properties

IUPAC Name:	2-[4-(cyclopropylmethylsulfonyl)phenyl]acetic acid
Description:	4-[(Cyclopropylmethyl)sulfonyl]phenylacetic Acid (CAS# 1156165-48-8 ) is a useful research chemical.
Molecular Weight:	254.30
Molecular Formula:	C12H14O4S
Canonical SMILES:	C1CC1CS(=O)(=O)C2=CC=C(C=C2)CC(=O)O
InChI:	InChI=1S/C12H14O4S/c13-12(14)7-9-3-5-11(6-4-9)17(15,16)8-10-1-2-10/h3-6,10H,1-2,7-8H2,(H,13,14)
InChI Key:	HJHIWZSHVWABCJ-UHFFFAOYSA-N

Publication Number	Title	Priority Date
CN-113072542-A	ROR gamma t inhibitor and preparation method and application thereof	20200106
WO-2021139595-A1	RORÎ³T INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF	20200106
WO-2021063362-A1	Sulfo-substituted biaryl compound or salt thereof, preparation method therefor, and use thereof	20190930
CN-112851557-A	Sulfo-substituted biaryl compound or salt thereof, and preparation method and application thereof	20190930
WO-2019213470-A1	Benzimidazole derivatives as modulators of retinoid-related orphan receptor gamma (rorÏ') and pharmaceutical uses thereof	20180503

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Related Functional Groups

Carbonyl Compounds

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[55441-25-3]
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[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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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:	370
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	254.06128010
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	254.06128010
Rotatable Bond Count:	5
Topological Polar Surface Area:	79.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1