5-(4-Methoxyphenyl)-5-oxopentanoic Acid - CAS 4609-10-3

Catalog:	BB026072
Product Name:	5-(4-Methoxyphenyl)-5-oxopentanoic Acid
CAS:	4609-10-3
Synonyms:	5-(4-methoxyphenyl)-5-oxopentanoic acid; 5-(4-methoxyphenyl)-5-oxopentanoic acid

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Computed Properties

IUPAC Name:	5-(4-methoxyphenyl)-5-oxopentanoic acid
Description:	5-(4-Methoxyphenyl)-5-oxopentanoic Acid (CAS# 4609-10-3 ) is a useful research chemical.
Molecular Weight:	222.24
Molecular Formula:	C12H14O4
Canonical SMILES:	COC1=CC=C(C=C1)C(=O)CCCC(=O)O
InChI:	InChI=1S/C12H14O4/c1-16-10-7-5-9(6-8-10)11(13)3-2-4-12(14)15/h5-8H,2-4H2,1H3,(H,14,15)
InChI Key:	UAMMMFTXGWKQLG-UHFFFAOYSA-N
MDL:	MFCD00021789
LogP:	2.13280

Publication Number	Title	Priority Date
CN-112778117-A	Method for synthesizing 4- (4-fluorobenzoyl) butyric acid and analogue thereof in continuous flow microreactor	20201217
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

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.08920892
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	222.08920892
Rotatable Bond Count:	6
Topological Polar Surface Area:	63.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7