AG001VIE

16094-44-3 | Benzoic acid, 2-hydroxy-5-(phenylmethoxy)-

AG001VIE

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CAS Number	16094-44-3
Catalog Number	AG001VIE(AGN-PC-00GRUI)
Chemical Name	Benzoic acid, 2-hydroxy-5-(phenylmethoxy)-
IUPAC Name	2-hydroxy-5-phenylmethoxybenzoic acid
InChI	InChI=1S/C14H12O4/c15-13-7-6-11(8-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,16,17)
InChI Key	PNERJPORNFOLIT-UHFFFAOYSA-N
MDL Number	MFCD11543482
Molecular Formula	C14H12O4
Molecular Weight	244.2427
SMILES	O=C(O)C1=CC(OCC2=CC=CC=C2)=CC=C1O
Synonyms	5-(benzyloxy)-2-hydroxybenzoic acid, 16094-44-3, 5-benzyloxysalicylic acid, 5-benzyloxy-2-hydroxy-benzoic acid, 5-benzyloxy-salicylic acid, 5-(Benzyloxy)salicylic acid, SCHEMBL343794, CHEMBL1813376, PNERJPORNFOLIT-UHFFFAOYSA-N, MFCD11543482, ZINC20593687, 2-hydroxy-5-phenylmethoxybenzoic acid, AKOS006030680, DS-8662, MCULE-7182843680, NE29938, AJ-77948, AK146925, Benzoic acid, 2-hydroxy-5-(phenylmethoxy)-, EN300-82124, A1-11637, Z1238477625, 2-hydroxy-5-phenylmethoxy-benzoic Acid, CID11817392,

Complexity	273
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.074g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	244.246g/mol
Monoisotopic Mass	244.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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