3-(4-Isopropoxyphenyl)propanoic acid - CAS 79669-11-7

Catalog:	BB060504
Product Name:	3-(4-Isopropoxyphenyl)propanoic acid
CAS:	79669-11-7
Synonyms:	3-(4-isopropoxyphenyl)propanoic acid; 3-[4-(propan-2-yloxy)phenyl]propanoic acid; 3-(4-propan-2-yloxyphenyl)propanoic acid; 3-(4-isopropoxyphenyl)propanoicacid

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Computed Properties

IUPAC Name:	3-(4-propan-2-yloxyphenyl)propanoic acid
Description:	3-(4-Isopropoxyphenyl)propanoic acid
Molecular Weight:	208.25
Molecular Formula:	C12H16O3
Canonical SMILES:	CC(C)OC1=CC=C(C=C1)CCC(=O)O
InChI:	InChI=1S/C12H16O3/c1-9(2)15-11-6-3-10(4-7-11)5-8-12(13)14/h3-4,6-7,9H,5,8H2,1-2H3,(H,13,14)
InChI Key:	YMSXOGLLGCFBNH-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2019040106-A2	COMPOUNDS, RELATED SALTS AND METHODS FOR THE TREATMENT OF DISEASES	20170821
AU-2015218642-A1	Compositions of pentosan polysulfate salts for oral administration and methods of use	20140224
CA-2949480-A1	Compositions of pentosan polysulfate salts for oral administration and methods of use	20140224
EP-3110427-A1	Compositions of pentosan polysulfate salts for oral administration and methods of use	20140224
JP-2017512757-A	Composition of pentosan polysulfate for oral administration and method of use	20140224
KR-20170003527-A	Compositions of pentosan polysulfate salts for oral administration and methods of use	20140224
US-2017189443-A1	Compositions and methods for treatment of diseases and conditions employing oral administration of sodium pentosan polysulfate and other pentosan polysulfate salts	20140224
WO-2015127416-A1	Compositions of pentosan polysulfate salts for oral administration and methods of use	20140224
TW-201035078-A	Substituted heterocyclic compounds	20090320
CA-2676930-A1	Phenylalkylcarboxylic acid delivery agents	20070208

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.109944368
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.109944368
Rotatable Bond Count:	5
Topological Polar Surface Area:	46.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7