AG004DOK

88550-19-0 | 2-(Methoxymethyl)benzoic acid

AG004DOK

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CAS Number	88550-19-0
Catalog Number	AG004DOK(AGN-PC-0NI7WZ)
Chemical Name	2-(Methoxymethyl)benzoic acid
IUPAC Name	2-(methoxymethyl)benzoic acid
InChI	InChI=1S/C9H10O3/c1-12-6-7-4-2-3-5-8(7)9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key	SZBJAHPVWKIPIU-UHFFFAOYSA-N
MDL Number	MFCD09863839
Molecular Formula	C9H10O3
Molecular Weight	166.1739
SMILES	COCC1=C(C=CC=C1)C(O)=O
Synonyms	2-(methoxymethyl)benzoic acid, 88550-19-0, Benzoic acid, 2-(methoxymethyl)-, AC1Q4FJN, ACMC-20a4g7, SCHEMBL534811, benzoic acid 4-methoxymethylester, CTK3A9856, KS-00000OAK, DTXSID10482176, 4285AC, ANW-56693, MFCD09863839, ZINC12480938, AKOS009228250, MCULE-6800520007, NE17852, AJ-62394, AK-66841, BS-13659, TR-070418, BB 0259443, EN300-35646, 2-(Methoxymethyl)benzoicacid, C9H10O3,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.063g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	166.176g/mol
Monoisotopic Mass	166.063g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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