Methyl 4-(3-hydroxyphenyl)benzoate - CAS 579511-01-6

Catalog:	BB029879
Product Name:	Methyl 4-(3-hydroxyphenyl)benzoate
CAS:	579511-01-6
Synonyms:	methyl 4-(3-hydroxyphenyl)benzoate

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Computed Properties

IUPAC Name:	methyl 4-(3-hydroxyphenyl)benzoate
Description:	Methyl 4-(3-hydroxyphenyl)benzoate (CAS# 579511-01-6) is a useful research chemical.
Molecular Weight:	228.24
Molecular Formula:	C14H12O3
Canonical SMILES:	COC(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)O
InChI:	InChI=1S/C14H12O3/c1-17-14(16)11-7-5-10(6-8-11)12-3-2-4-13(15)9-12/h2-9,15H,1H3
InChI Key:	LIQIQAWUDHGWSL-UHFFFAOYSA-N
Boiling Point:	404.8 °C at 760 mmHg
Density:	1.194 g/cm³
LogP:	2.84580

Publication Number	Title	Priority Date
AU-2003229186-A1	Non-nucleoside reverse transcriptase inhibitors	20020516
CA-2485916-C	Non-nucleoside reverse transcriptase inhibitors	20020516
CN-1318421-C	Non-nucleoside reverse transcriptase inhibitors	20020516
CN-1653066-A	Non-nucleoside reverse transcriptase inhibitors	20020516
EA-009178-B1	NONUCLEICID REVERSE TRANSCRIPTASE INHIBITORS	20020516

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[17746-05-3]
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	256
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.078644241
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.078644241
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1