AG003TO4

87-22-9 | Phenethyl 2-hydroxybenzoate

AG003TO4

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CAS Number	87-22-9
Catalog Number	AG003TO4(AGN-PC-0JL4YB)
Chemical Name	Phenethyl 2-hydroxybenzoate
EC Number	201-732-5
FEMA Number	2868
IUPAC Name	2-phenylethyl 2-hydroxybenzoate
InChI	InChI=1S/C15H14O3/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChI Key	YNMSDIQQNIRGDP-UHFFFAOYSA-N
MDL Number	MFCD00020036
Molecular Formula	C15H14O3
Molecular Weight	242.2699
NSC Number	72035
SMILES	OC1=CC=CC=C1C(OCCC2=CC=CC=C2)=O
UNII	6LDP0U8UB0
Synonyms	phenethyl salicylate, phenylethyl salicylate, Phenethyl salicylate, 87-22-9, 2-Phenylethyl 2-hydroxybenzoate, 2-Phenylethyl salicylate, Phenylethyl salicylate, phenethyl 2-hydroxybenzoate, Phenylethyl salicyalte, Benzylcarbinyl salicylate, Salicylic acid, phenethyl ester, BENZOIC ACID, 2-HYDROXY-, 2-PHENYLETHYL ESTER, UNII-6LDP0U8UB0, Benzylcarbinyl 2-hydroxybenzoate, beta-Phenylethyl salicylate, 6LDP0U8UB0, .beta.-Phenylethyl salicylate, NSC-72035, 2-Hydroxybenzoic Acid 2-Phenylethyl Ester, FEMA No. 2868, EINECS 201-732-5, NSC 72035, Benzoic acid, 2-hydroxy-, 2-phenylethyl, AI3-02933, AC1L1WWQ, Benzyl carbinyl salicylate, beta -phenylethyl salicylate, NCIOpen2_003663, AKS-BBB/661, SCHEMBL112400, Salicylic Acid Phenethyl Ester, AC1Q792Q, ARONIS013323, CHEMBL3730787, DTXSID0052592, CTK3E8833, FEMA 2868, YNMSDIQQNIRGDP-UHFFFAOYSA-N, ZINC397608, Salicylic Acid 2-Phenylethyl Ester, NSC72035, Phenethyl salicylate, >=97%, FG, MFCD00020036, SBB080176, STL067279, 2-Hydroxybenzoic Acid Phenethyl Ester, AKOS000319541, MCULE-1733892142, RTR-048218, Salicylic acid, phenethyl ester (8CI), KS-0000440O, AN-42374, ZB012719, TR-048218, P2165, ST45050032, X6814, 087P229, I14-19928, phenethylsalicylat-, phenyl ethyl salicylate, Benzoic acid, 2-phenylethyl ester, C15H14O3, CID62332, C15-H14-O3, C526490,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.094g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	242.274g/mol
Monoisotopic Mass	242.094g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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