3-Phenoxypropionic acid - CAS 7170-38-9

Name: 3-Phenoxypropionic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB034463
Product Name:	3-Phenoxypropionic acid
CAS:	7170-38-9
Synonyms:	3-phenoxypropanoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-phenoxypropanoic acid
Description:	3-Phenoxypropionic acid (CAS# 7170-38-9) is a useful research chemical.
Molecular Weight:	166.17
Molecular Formula:	C9H10O3
Canonical SMILES:	C1=CC=C(C=C1)OCCC(=O)O
InChI:	InChI=1S/C9H10O3/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChI Key:	BUSOTUQRURCMCM-UHFFFAOYSA-N
Boiling Point:	235-245 °C
Melting Point:	96-100 °C
Density:	243
Appearance:	Off white crystalline powder
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00002769
LogP:	1.54010

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[927676-51-5]C10H6BrNO3
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

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

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PMID	Publication Date	Title	Journal
21418495	20110601	(R,S)-dichlorprop herbicide in agricultural soil induces proliferation and expression of multiple dioxygenase-encoding genes in the indigenous microbial community	Environmental microbiology
20397636	20100515	Declining capacity of starving Delftia acidovorans MC1 to degrade phenoxypropionate herbicides correlates with oxidative modification of the initial enzyme	Environmental science & technology
18570309	20090301	Spectroscopic investigations of the chiral interactions between lipase and the herbicide dichlorprop	Chirality
18425419	20080801	A phase I and pharmacokinetic study of XK469R (NSC 698215), a quinoxaline phenoxypropionic acid derivative, in patients with refractory acute leukemia	Investigational new drugs
18499064	20080401	Production of (S)-2-chloropropionate by asymmetric reduction of 2-chloroacrylate with 2-haloacrylate reductase coupled with glucose dehydrogenase	Journal of bioscience and bioengineering

Complexity:	139
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.062994177
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.062994177
Rotatable Bond Count:	4
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5