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2-(Acetyloxy)benzoic Acid 4-(Hydroxymethyl)phenyl Ester

2-(Acetyloxy)benzoic Acid 4-(Hydroxymethyl)phenyl Ester - CAS 175077-14-2

Catalog:	BB075425
Product Name:	2-(Acetyloxy)benzoic Acid 4-(Hydroxymethyl)phenyl Ester
CAS:	175077-14-2
Synonyms:	[4-(hydroxymethyl)phenyl] 2-acetyloxybenzoate; 4-(Hydroxymethyl)phenyl 2-acetoxybenzoate; 2-(Acetyloxy)benzoic Acid 4-(Hydroxymethyl)phenyl Ester

Technical Data

Computed Properties

IUPAC Name:	[4-(hydroxymethyl)phenyl] 2-acetyloxybenzoate
Molecular Weight:	286.28
Molecular Formula:	C16H14O5
Canonical SMILES:	CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)CO
InChI:	InChI=1S/C16H14O5/c1-11(18)20-15-5-3-2-4-14(15)16(19)21-13-8-6-12(10-17)7-9-13/h2-9,17H,10H2,1H3
InChI Key:	QHNVBXTVELOXQY-UHFFFAOYSA-N
Solubility:	Ethyl Acetate, DCM
Appearance:	Off-White Solid
References:	Kashfi, K., et al. Biochem. Pharmacol., 70, 969 ( 2005),.

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Complexity:	360
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	286.08412354
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	286.08412354
Rotatable Bond Count:	6
Topological Polar Surface Area:	72.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2