AG00345F

32857-63-9 | 2-(4-(tert-Butyl)phenyl)acetic acid

AG00345F

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CAS Number	32857-63-9
Catalog Number	AG00345F(AGN-PC-0JLLRW)
Chemical Name	2-(4-(tert-Butyl)phenyl)acetic acid
EC Number	251-264-0
IUPAC Name	2-(4-tert-butylphenyl)acetic acid
InChI	InChI=1S/C12H16O2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
InChI Key	RUAYXHSDAMWEDR-UHFFFAOYSA-N
MDL Number	MFCD00082593
Molecular Formula	C12H16O2
Molecular Weight	192.2542
SMILES	C(C)(C)(C)C1=CC=C(C=C1)CC(=O)O
Synonyms	4-tert-Butylphenylacetic acid, 32857-63-9, 2-(4-tert-butylphenyl)acetic acid, (4-tert-Butylphenyl)acetic acid, 2-(4-(tert-Butyl)phenyl)acetic acid, 4-t-Butylphenylacetic acid, Benzeneacetic acid, 4-(1,1-dimethylethyl)-, RUAYXHSDAMWEDR-UHFFFAOYSA-N, (4-tert-Butyl-phenyl)-acetic acid, 4-tert-Butylbenzeneacetic acid, TB2, EINECS 251-264-0, AC1L3MQN, ACMC-1CQ6J, ASISCHEM Y85510, SCHEMBL840854, AC1Q1M65, (p-tert-Butylphenyl)acetic acid, RARECHEM AL BO 0709, 4-tert-butyl-phenyl acetic acid, DTXSID9067728, ZINC487304, (4-tert-Butylphenyl)acetic acid #, KS-00000GP8, 4-tert-Butyl-benzene-1-acetic acid, Acetic acid, (p-tert-butylphenyl)-, ANW-27473, BBL020444, BTS-10335, MFCD00082593, STK893161, AKOS000154522, 4-(T-BUTYL)-PHENYLACETIC ACID, AM83122, AS00513, CB-2186, MCULE-1362276474, PS-8328, TRA0086400, VZ29739, OTAVA-BB 7020330570, 4-(1,1-Dimethylethyl)benzeneacetic acid, AC-23616, AJ-23135, AK-25776, SC-78208, SY014222, [4-(1,1-dimethylethyl)phenyl]acetic acid, 4-tert-Butylphenylacetic acid, AldrichCPR, AB0030790, Benzeneacetic acid,4-(1,1-dimethylethyl)-, DB-048283, TR-013786, [4-(2-Methyl-2-propanyl)phenyl]acetic acid, B4307, BB 0248971, FT-0639061, ST24039386, X3028, B48552, C-5634, MFCD00082593 (97+%), 857B639, AE-848/00908019, I04-3865, Z57309485, C12H16O2, (4-tert-Butylphenyl)acetaldehyde, CID118343, ACN-048922, C12-H16-O2, 4-tert-Butylphenylacetic acid, 98% - 1G 1g, 110-62-3,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.115g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.258g/mol
Monoisotopic Mass	192.115g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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