AG00H102

938-50-1 | 2-(2,6-Dimethylphenyl)Acetic Acid

AG00H102

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CAS Number	938-50-1
Catalog Number	AG00H102(AGN-PC-02KTS4)
Chemical Name	2-(2,6-Dimethylphenyl)Acetic Acid
IUPAC Name	2-(2,6-dimethylphenyl)acetic acid
InChI	InChI=1S/C10H12O2/c1-7-4-3-5-8(2)9(7)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChI Key	MMEXIIGRXCODNK-UHFFFAOYSA-N
MDL Number	MFCD06208111
Molecular Formula	C10H12O2
Molecular Weight	164.2011
SMILES	O=C(O)CC1=C(C)C=CC=C1C
Synonyms	2-(2,6-DIMETHYLPHENYL)ACETIC ACID, 938-50-1, 2,6-dimethylphenylacetic acid, (2,6-Dimethylphenyl)acetic acid, SCHEMBL1004574, RARECHEM AL BO 0588, KS-00000IGY, DTXSID60600484, MMEXIIGRXCODNK-UHFFFAOYSA-N, Benzeneacetic acid, 2,6-dimethyl-, (2,6-Dimethyl-phenyl)-acetic acid, SBB079585, ZINC38548953, AKOS006293025, CS-W006505, DS-5269, NE35895, AJ-96598, AK136023, SC-60199,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.204g/mol
Monoisotopic Mass	164.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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