AG0024RC

17653-94-0 | Benzeneacetic acid, 3-methoxy-α,α-dimethyl-

AG0024RC

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CAS Number	17653-94-0
Catalog Number	AG0024RC(AGN-PC-0QAYUR)
Chemical Name	Benzeneacetic acid, 3-methoxy-α,α-dimethyl-
IUPAC Name	2-(3-methoxyphenyl)-2-methylpropanoic acid
InChI	InChI=1S/C11H14O3/c1-11(2,10(12)13)8-5-4-6-9(7-8)14-3/h4-7H,1-3H3,(H,12,13)
InChI Key	AJBGTOYTKPVUPX-UHFFFAOYSA-N
MDL Number	MFCD09414710
Molecular Formula	C11H14O3
Molecular Weight	194.2271
SMILES	COC1=CC=CC(=C1)C(C)(C)C(O)=O
Synonyms	2-(3-Methoxyphenyl)-2-methylpropanoic acid, 17653-94-0, 2-(3-Methoxy-phenyl)-2-methyl-propionic acid, Benzeneacetic acid, 3-methoxy-alpha,alpha-dimethyl-, 2-(3-methoxyphenyl)-2-methyl-propanoic Acid, SCHEMBL1356271, CTK4D6240, KS-00002ACZ, DTXSID30445344, AJBGTOYTKPVUPX-UHFFFAOYSA-N, 9256AA, MFCD09414710, SBB052611, ZINC20357707, AKOS010514988, AN-2305, CM-1321, PS-5140, RP25314, AJ-77154, AM807366, AB0059672, AB1010167, Benzeneacetic acid,3-methoxy-a,a-dimethyl-, DB-010865, TR-008044, 2-(3-Methoxyphenyl)-2-methylpropionic acid, BB 0257711, FT-0681643, A23374, Z-1560, Z-9242, alpha,alpha-Dimethyl-3-methoxybenzeneacetic acid, I01-3989, J-505801, Z2753046670, null, C11H14O3, CID10821634,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.094g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	194.23g/mol
Monoisotopic Mass	194.094g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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