2-Phenylcyclopropanecarboxylic Acid - CAS 5685-38-1

Catalog:	BB029513
Product Name:	2-Phenylcyclopropanecarboxylic Acid
CAS:	5685-38-1
Synonyms:	2-phenyl-1-cyclopropanecarboxylic acid; 2-phenylcyclopropane-1-carboxylic acid

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Computed Properties

IUPAC Name:	2-phenylcyclopropane-1-carboxylic acid
Description:	2-Phenylcyclopropanecarboxylic Acid (CAS# 5685-38-1) is a useful research chemical.
Molecular Weight:	162.19
Molecular Formula:	C10H10O2
Canonical SMILES:	C1C(C1C(=O)O)C2=CC=CC=C2
InChI:	InChI=1S/C10H10O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12)
InChI Key:	AHDDRJBFJBDEPW-UHFFFAOYSA-N
MDL:	MFCD00066860
LogP:	1.87470

Publication Number	Title	Priority Date
WO-2021164746-A1	Substituted aryl compound	20200219
WO-2021142444-A2	Photoredox catalysts and methods of using such catalysts	20200109
WO-2021050994-A1	Heterobicyclic carboxamides and uses thereof	20190913
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

PMID	Publication Date	Title	Journal
21417219	20110428	Discovery of (1S,2R,3R)-2,3-dimethyl-2-phenyl-1-sulfamidocyclopropanecarboxylates: novel and highly selective aggrecanase inhibitors	Journal of medicinal chemistry
16826303	20060721	Efficient syntheses of four stable-isotope labeled (1R)-menthyl (1S,2S)-(+)-2-phenylcyclopropanecarboxylates	Organic & biomolecular chemistry

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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:	182
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.068079557
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	162.068079557
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6