3-(Hydroxymethyl)cyclobutanecarboxylic Acid - CAS 1015856-00-4

Catalog:	BB000558
Product Name:	3-(Hydroxymethyl)cyclobutanecarboxylic Acid
CAS:	1015856-00-4
Synonyms:	3-(hydroxymethyl)-1-cyclobutanecarboxylic acid; 3-(hydroxymethyl)cyclobutane-1-carboxylic acid

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Computed Properties

IUPAC Name:	3-(hydroxymethyl)cyclobutane-1-carboxylic acid
Description:	3-(Hydroxymethyl)cyclobutanecarboxylic Acid can be used as ROCK kinase inhibitors.
Molecular Weight:	130.14
Molecular Formula:	C6H10O3
Canonical SMILES:	C1C(CC1C(=O)O)CO
InChI:	InChI=1S/C6H10O3/c7-3-4-1-5(2-4)6(8)9/h4-5,7H,1-3H2,(H,8,9)
InChI Key:	IJDSDHSDNKDDER-UHFFFAOYSA-N
LogP:	0.08950

Publication Number	Title	Priority Date
CN-112654605-A	Bridged heterocyclic group substituted pyrimidine compound and preparation method and medical application thereof	20190809
WO-2021027647-A1	Bridged heterocyclyl-substituted pyrimidine compound, preparation method therefor, and pharmaceutical use thereof	20190809
WO-2019063748-A1	INHIBITORS OF ROR-GAMMA	20170930
CN-105121430-B	Conditioning agent for treating the LADA orphan receptor Î³ related to the biostearin of inflammatory disease (ROR Î³)	20121206
US-2015175562-A1	Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ror[gamma]	20120531

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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

Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.062994177
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	130.062994177
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2