AG007H2E

32194-76-6 | 3-(METHOXYMETHYL)BENZOIC ACID

AG007H2E

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CAS Number	32194-76-6
Catalog Number	AG007H2E(AGN-PC-0LK92O)
Chemical Name	3-(METHOXYMETHYL)BENZOIC ACID
IUPAC Name	3-(methoxymethyl)benzoic acid
InChI	InChI=1S/C9H10O3/c1-12-6-7-3-2-4-8(5-7)9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key	ZPBMOTGPFVLBMN-UHFFFAOYSA-N
MDL Number	MFCD01871355
Molecular Formula	C9H10O3
Molecular Weight	166.1739
SMILES	COCC1=CC=CC(=C1)C(O)=O
Synonyms	3-(methoxymethyl)benzoic Acid, 32194-76-6, 3-Methoxymethyl-benzoic acid, AC1NLQIB, AC1Q4FK6, SCHEMBL565902, CTK4G8367, KS-00000NBJ, Benzoic acid,3-(methoxymethyl)-, DTXSID60407071, ZPBMOTGPFVLBMN-UHFFFAOYSA-N, Benzoic acid, 3-(methoxymethyl)-, ZINC4206416, ANW-71482, BBL034827, MFCD01871355, STL411942, AKOS000101808, MCULE-3624069019, NCGC00342677-01, AJ-48839, AK-81405, AM803691, SC-48724, TS-02233, 3-(methoxymethyl)benzoic acid, AldrichCPR, TR-013578, BB 0257988, FT-0681608, EN300-13304, W-8748, AB01333903-02, I01-14665, 3- benzoicacid, CID4962354, (2-methyl-1,3-thiazol-4-yl)acetic acid,

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	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number