AG003RQI

4724-10-1 | Methyl 2-(3,5-Dihydroxyphenyl)Acetate

AG003RQI

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CAS Number	4724-10-1
Catalog Number	AG003RQI(AGN-PC-0JT82T)
Chemical Name	Methyl 2-(3,5-Dihydroxyphenyl)Acetate
IUPAC Name	methyl 2-(3,5-dihydroxyphenyl)acetate
InChI	InChI=1S/C9H10O4/c1-13-9(12)4-6-2-7(10)5-8(11)3-6/h2-3,5,10-11H,4H2,1H3
InChI Key	LMLSBPHXMGSGCR-UHFFFAOYSA-N
MDL Number	MFCD00091620
Molecular Formula	C9H10O4
Molecular Weight	182.1733
SMILES	COC(=O)CC1=CC(O)=CC(O)=C1
Synonyms	Methyl 3,5-dihydroxyphenylacetate, 4724-10-1, methyl 2-(3,5-dihydroxyphenyl)acetate, methyl(3,5-dihydroxyphenyl)acetate, Methyl (3,5-dihydroxyphenyl)acetate, 3,5-dihydroxyphenylacetic acid methyl ester, Methyl 3,5-dihyroxyphenylacetate, LMLSBPHXMGSGCR-UHFFFAOYSA-N, Methyl 2-(3,5-Dihydroxyphenyl)ethanoate, benzeneacetic acid, 3,5-dihydroxy-, methyl ester, methyl[3,5-dihydroxyphenyl]acetate, methyl [3,5-dihydroxyphenyl]acetate, XQI, resorcinol fragment, 8, METHYL-3,5-DIHYDROXYPHENYLACETATE, AC1LBBH5, AC1Q5ZTZ, 3,5-Dihydroxyphenylacetic acid, methyl ester, ACMC-1AQT0, SCHEMBL478058, CHEMBL540934, BDBM33220, DTXSID20342212, ZINC395571, ANW-74229, CD-441, MFCD00091620, AKOS015856262, FCH1114693, MCULE-5129147520, Methyl (3,5-dihydroxyphenyl)acetate #, methyl-2-(3,5-dihydroxyphenyl)acetate, TRA0098577, Methyl 3,5-dihydroxyphenylacetate, 97%, AJ-21521, BC201441, SC-86694, U463, (3,5-dihydroxy-phenyl)-acetic methyl ester, AX8105789, DB-070782, TR-033402, 3,5-Dihydroxybenzeneacetic acid methyl ester, 3,5-dihydroxyphenyl acetic acid methyl ester, FT-0082762, FT-0600046, ST50410931, (3,5-dihydroxyphenyl)-acetic acid methyl ester, (3,5-dihydroxy-phenyl)-acetic acid methyl ester, 724M101, InChI=1/C9H10O4/c1-13-9(12)4-6-2-7(10)5-8(11)3-6/h2-3,5,10-11H,4H2,1H, C9H10O4, AR-1J6380, CID579787, 1-Methyl-6,7-dimethoxy-3,4-dihydroisoquinoline, 4729-05-9,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.058g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	182.175g/mol
Monoisotopic Mass	182.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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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