AG00II1H

943-45-3 | Propanoic acid, 2-methyl-2-phenoxy-

AG00II1H

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CAS Number	943-45-3
Catalog Number	AG00II1H(AGN-PC-0JL9MP)
Chemical Name	Propanoic acid, 2-methyl-2-phenoxy-
EC Number	213-402-8
IUPAC Name	2-methyl-2-phenoxypropanoic acid
InChI	InChI=1S/C10H12O3/c1-10(2,9(11)12)13-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12)
InChI Key	ILPUOPPYSQEBNJ-UHFFFAOYSA-N
MDL Number	MFCD00129939
Molecular Formula	C10H12O3
Molecular Weight	180.2005
NSC Number	34010
SMILES	CC(OC1=CC=CC=C1)(C)C(O)=O
UNII	6848ST447Q
Synonyms	2-phenoxy-2-methylpropionic acid, fibric acid, methyl-2-phenoxypropanoic acid, phenoxyisobutyric acid, 2-methyl-2-phenoxypropanoic acid, 943-45-3, Phenoxyisobutyric acid, fibric acid, 2-Phenoxyisobutyric acid, 2-Methyl-2-phenoxypropionic acid, 2-methyl-2-phenoxy-propanoic acid, 2-Methyl-2-phenoxy-propionic acid, UNII-6848ST447Q, EINECS 213-402-8, NSC 34010, BRN 1947985, Acide methyl-2 phenoxy-2 propionique [French], 2-Phenoxy-2,2-dimethyl acetic acid, Propionic acid, 2-methyl-2-phenoxy-, 6848ST447Q, 2-phenoxy-2-methylpropionic acid, Acide methyl-2 phenoxy-2 propionique, AC1L2DVP, AC1Q5SV8, 4-06-00-00646 (Beilstein Handbook Reference), SCHEMBL247466, CTK5H6432, DTXSID40241410, ILPUOPPYSQEBNJ-UHFFFAOYSA-N, ALBB-000881, NSC34010, ZINC4203900, 3917AF, BBL013594, MFCD00129939, NSC-34010, SBB020802, STK346750, Propanoic acid, 2-methyl-2-phenoxy-, AKOS000308691, MCULE-8727375107, KS-00000N59, AJ-48648, AK-96821, AN-48126, DS-18568, SC-20125, LS-124784, TR-030632, BB 0241759, FT-0678477, M2984, ST45082077, EN300-51263, M40001, W-6524, 943M453, I04-4460, W-100199, Z1270387259, 2-Phenoxyisobutyricacid, methyl-2-phenoxypropanoic acid, C10H12O3, CID70343, AR-1L0382, C10-H12-O3, C010285, 13794-14-4, 82780-18-5,

Complexity	181
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	1
Isotope Atom Count	0
Molecular Weight	180.203g/mol
Monoisotopic Mass	180.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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

Lot Number