4'-Hydroxyheptanophenone - CAS 14392-72-4

Catalog:	BB009691
Product Name:	4'-Hydroxyheptanophenone
CAS:	14392-72-4
Synonyms:	1-(4-hydroxyphenyl)-1-heptanone; 1-(4-hydroxyphenyl)heptan-1-one

Technical Data

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Computed Properties

IUPAC Name:	1-(4-hydroxyphenyl)heptan-1-one
Description:	4'-Hydroxyheptanophenone (CAS# 14392-72-4) is a useful research chemical.
Molecular Weight:	206.28
Molecular Formula:	C13H18O2
Canonical SMILES:	CCCCCCC(=O)C1=CC=C(C=C1)O
InChI:	InChI=1S/C13H18O2/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,14H,2-6H2,1H3
InChI Key:	MAZPQHJYGKZQEA-UHFFFAOYSA-N
Boiling Point:	220 °C / 15 mmHg
Density:	1.021 g/cm³
MDL:	MFCD00191523
LogP:	3.54530

Publication Number	Title	Priority Date
KR-101863634-B1	Self-crosslinking polymer, resist under-layer composition including the same, and method for forming pattern using the same	20111013
KR-20130039932-A	Self-crosslinking polymer, resist underlayer film composition comprising same and pattern formation method using same	20111013
EP-2444386-A1	Process for preparation of norbornene derivatives	20090619
JP-2011001318-A	Method for producing norbornene derivative	20090619
JP-5512174-B2	Method for producing norbornene derivative	20090619

PMID	Publication Date	Title	Journal
16797984	20060901	Synthesis, biochemical evaluation and rationalisation of the inhibitory activity of a series of 4-hydroxyphenyl ketones as potential inhibitors of 17beta-hydroxysteroid dehydrogenase type 3 (17beta-HSD3)	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, P391, and P501
Signal Word:	Warning

Complexity:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.130679813
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	206.130679813
Rotatable Bond Count:	6
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7