AG00BFEG

29913-51-7 | 4-hydroxy-.alpha.,.alpha.-dimethyl-Benzeneacetic acid

AG00BFEG

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CAS Number	29913-51-7
Catalog Number	AG00BFEG(AGN-PC-0R5BXX)
Chemical Name	4-hydroxy-.alpha.,.alpha.-dimethyl-Benzeneacetic acid
IUPAC Name	2-(4-hydroxyphenyl)-2-methylpropanoic acid
InChI	InChI=1S/C10H12O3/c1-10(2,9(12)13)7-3-5-8(11)6-4-7/h3-6,11H,1-2H3,(H,12,13)
InChI Key	PECVBUCAGSDWKQ-UHFFFAOYSA-N
MDL Number	MFCD00995712
Molecular Formula	C10H12O3
Molecular Weight	180.2005
SMILES	CC(C)(C1=CC=C(O)C=C1)C(O)=O
Synonyms	2-(4-Hydroxyphenyl)-2-methylpropanoic acid, 29913-51-7, SCHEMBL1819260, KS-00000RBT, DTXSID80564913, PECVBUCAGSDWKQ-UHFFFAOYSA-N, MFCD00995712, ZINC34402614, AKOS015951020, DS-5586, NE23648, AJ-88311, AK127703, AB0072373, AB1006804, ST24039457, 2-Methyl 2-(4-Hydroxyphenyl) Propionic Acid, 2-(4-hydroxy-phenyl)-2-methyl-propionic acid, alpha,alpha-dimethyl 4-hydroxyphenylacetic acid, 2,2-Dimethyl-2-(4-hydroxybenzene)-acetic acid, Benzeneacetic acid, 4-hydroxy-alpha,alpha-dimethyl-, 4-hydroxy-.alpha.,.alpha.-dimethyl-Benzeneacetic acid, Z1889902479, null, 4-chloro-6-methoxyquinolin-7-ol, 2-(4-Hydroxyphenyl)-2-methylpropanoicacid,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.079g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	180.203g/mol
Monoisotopic Mass	180.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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