AG00EAC6

64740-36-9 | 3-(4-Ethylphenyl)propionic acid

AG00EAC6

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CAS Number	64740-36-9
Catalog Number	AG00EAC6(AGN-PC-0KBPSV)
Chemical Name	3-(4-Ethylphenyl)propionic acid
IUPAC Name	3-(4-ethylphenyl)propanoic acid
InChI	InChI=1S/C11H14O2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)
InChI Key	MUQCDEGKKWQCAO-UHFFFAOYSA-N
MDL Number	MFCD03425687
Molecular Formula	C11H14O2
Molecular Weight	178.2277
SMILES	CCC1=CC=C(CCC(O)=O)C=C1
Synonyms	3-(4-ethylphenyl)propanoic Acid, 64740-36-9, 3-(4-Ethylphenyl)propionic acid, 4-ethylbenzenepropanoic acid, 3-(4-ethyl-phenyl)-propionic acid, 4-ethyl-benzenepropanoic acid, Benzenepropanoic acid,4-ethyl-, AC1M15M6, SCHEMBL1206896, CTK5C1664, DTXSID30366404, MUQCDEGKKWQCAO-UHFFFAOYSA-N, 3-(4'-Ethylphenyl)propionic acid, 3-(4-ethylphenyl)-propionic acid, HMS1729P10, ZINC2580667, 9905AB, ANW-74024, MFCD03425687, RW2697, AKOS000206871, FS-4137, MCULE-2110019416, AJ-42880, SC-50581, DB-021655, TR-022137, FT-0676572, ST24028300, ST51045448, AZ0001-0304, C-5247, I04-4020, 3-(4-Ethylphenyl)propanoicacid, C11H14O2, ACN-028986, CID2064039,

Complexity	158
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	4
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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