AG00DFDJ

52079-10-4 | O-Desmethylnaproxen

AG00DFDJ

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CAS Number	52079-10-4
Catalog Number	AG00DFDJ(AGN-PC-0SC0IM)
Chemical Name	O-Desmethylnaproxen
IUPAC Name	(2S)-2-(6-hydroxynaphthalen-2-yl)propanoic acid
InChI	InChI=1S/C13H12O3/c1-8(13(15)16)9-2-3-11-7-12(14)5-4-10(11)6-9/h2-8,14H,1H3,(H,15,16)/t8-/m0/s1
InChI Key	XWJUDDGELKXYNO-QMMMGPOBSA-N
MDL Number	MFCD00869765
Molecular Formula	C13H12O3
Molecular Weight	216.2326
SMILES	OC([C@H](C1=CC2=C(C=C(C=C2)O)C=C1)C)=O
UNII	XSN14HHQ8D
Synonyms	6-desmethylnaproxen, 6-o-demethylnaproxen, desmethylnaproxen, desmethylnaproxen, (+-)-isomer, desmethylnaproxen, (S)-isomer, O-Desmethylnaproxen, 52079-10-4, 6-O-Demethylnaproxen, (S)-6-Hydroxy-alpha-methyl-2-naphthaleneacetic acid, (S)-O-Desmethyl Naproxen, UNII-XSN14HHQ8D, (S)-2-(6-Hydroxy-2-naphthyl)propionic Acid, XSN14HHQ8D, (S)-6-O-Desmethylnaproxen, XWJUDDGELKXYNO-QMMMGPOBSA-N, (S)-2-(6-Hydroxynaphthalen-2-yl)propanoic acid, MFCD00869765, d-2-(6-Hydroxy-2-naphthyl)proprionic acid, (2S)-2-(6-hydroxynaphthalen-2-yl)propanoic acid, Desmethylnaproxen, O-Demethylnaproxen, 6-O-Desmethylnaproxen, Naproxen EP Impurity A, (S)-6-Demethylnaproxen, (S)-O-Desmethylnaproxen, SCHEMBL1448280, CHEMBL1864916, CTK8F2171, 2-Naphthaleneacetic acid, 6-hydroxy-alpha-methyl-, (S)-, CHEBI:133474, ZINC2570852, AKOS015968429, API0006153, O-Desmethylnaproxen, analytical standard, NCGC00165942-01, d-2-(6-Hydroxy-2-naphthyl)propionic acid, FT-0666192, (2S)-2-(6-hydroxy-2-naphthyl)propionic acid, (S)-6-Hydroxy-|A-methyl-2-naphthaleneacetic acid, (S)-6-Hydroxy-alp.-methyl-2-naphthaleneacetic acid, (|AS)-6-Hydroxy-|A-methyl-2-naphthaleneacetic Acid, (S)-6-Hydroxy-.alpha.-methyl-2-naphthaleneacetic acid, (2S)-2-(6-Hydroxynaphthalen-2-yl)propanoic Acid (O-Demethylnaproxen), C13-H12-O3, CS-T-52256,

Complexity	264
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	216.079g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	216.236g/mol
Monoisotopic Mass	216.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H317-H400
Packing Group	Ⅲ
Precautionary statements	P273-P280
UN Code	UN 3077

Certificate of Analysis

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