AG003LLQ

4476-28-2 | 2-(4-Isopropylphenyl)Acetic Acid

AG003LLQ

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CAS Number	4476-28-2
Catalog Number	AG003LLQ(AGN-PC-0JLR87)
Chemical Name	2-(4-Isopropylphenyl)Acetic Acid
EC Number	224-755-2
IUPAC Name	2-(4-propan-2-ylphenyl)acetic acid
InChI	InChI=1S/C11H14O2/c1-8(2)10-5-3-9(4-6-10)7-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
InChI Key	RERBQXVRXYCGLT-UHFFFAOYSA-N
MDL Number	MFCD00041035
Molecular Formula	C11H14O2
Molecular Weight	178.2277
SMILES	O=C(O)CC1=CC=C(C(C)C)C=C1
Synonyms	4-Isopropylphenylacetic acid, 4476-28-2, 2-(4-Isopropylphenyl)acetic acid, (4-isopropylphenyl)acetic acid, Benzeneacetic acid, 4-(1-methylethyl)-, 2-[4-(Propan-2-Yl)Phenyl]Acetic Acid, p-Isopropyl phenyl acetic acid, (4-Isopropyl-phenyl)-acetic acid, RERBQXVRXYCGLT-UHFFFAOYSA-N, MFCD00041035, [4-(propan-2-yl)phenyl]acetic acid, 2-[4-(methylethyl)phenyl]acetic acid, 4-isopropylphenylaceticacid, EINECS 224-755-2, zlchem 1242, 4-(Carboxymethyl)cumene, AI3-12008, AC1L2URY, AC1Q1ONG, AC1Q5VIL, 7-p-Cymenecarboxylic acid, 4-Isopropylphenylessigsaure, 4-isopropylpheylacetic acid, p-isopropylphenylacetic acid, p-Cymene-7-carboxylic acid, ACMC-1CT20, 4-isopropylphenyl acetic acid, KSC493M7P, SCHEMBL909093, 4-(Prop-2-yl)phenylacetic acid, CTK3J3677, DTXSID80196298, ZLE0017, KS-000010HG, ZINC2390060, p-ISOPROPYL PHENYLACETIC ACID, ANW-47193, BBL027961, SBB079293, STL015389, 2-(4-propan-2-ylphenyl)acetic acid, AKOS000296244, MCULE-9538499418, PS-5581, RTR-017165, VZ29286, AJ-35659, AK-61825, BP-11956, BR-61825, SC-62406, SY019530, AB0031385, DB-051247, TR-017165, BB 0248970, CS-0030404, FT-0618845, ST24027562, ST45175044, X4467, MFCD00041035 (95%), C-4952, 476I282, CS-002/03844024, I04-3978, Vallaroside, C11H14O2, CID78230, AR-1G2998, ACN-025688, C11-H14-O2, 4-Isopropylphenylacetic acid, 98% - 1G 1g, 482-22-4,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.099g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.231g/mol
Monoisotopic Mass	178.099g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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