3-(2-Methylphenoxy)propionic Acid - CAS 25173-35-7

Catalog:	BB018778
Product Name:	3-(2-Methylphenoxy)propionic Acid
CAS:	25173-35-7
Synonyms:	3-(2-methylphenoxy)propanoic acid; 3-(2-methylphenoxy)propanoic acid

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Computed Properties

IUPAC Name:	3-(2-methylphenoxy)propanoic acid
Description:	3-(2-Methylphenoxy)propionic Acid (CAS# 25173-35-7) is a useful research chemical.
Molecular Weight:	180.20
Molecular Formula:	C10H12O3
Canonical SMILES:	CC1=CC=CC=C1OCCC(=O)O
InChI:	InChI=1S/C10H12O3/c1-8-4-2-3-5-9(8)13-7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChI Key:	WDBZEBXYXWWDPJ-UHFFFAOYSA-N
Boiling Point:	285.3 °C at 760 mmHg
LogP:	1.84850

Publication Number	Title	Priority Date
WO-2021108628-A1	Substituted macrocyclic compounds and related methods of treatment	20191125
US-2019177713-A1	Methods and microorganisms for producing flavors and fragrance chemicals	20160630
US-2013310419-A1	Pyrrole derivatives used as modulators of alpha7 nachr	20110203
EP-2053918-B1	Propyl phenoxy ethers for use as delivery agents	20060818
JP-2010501489-A	Synthesis of propylphenoxy ether and use as a delivery agent	20060818

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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:	168
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	180.078644241
Rotatable Bond Count:	4
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2