AG00EBS7

61566-34-5 | Methyl 2-(4-isobutylphenyl)propanoate

AG00EBS7

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CAS Number	61566-34-5
Catalog Number	AG00EBS7(AGN-PC-0T0X6M)
Chemical Name	Methyl 2-(4-isobutylphenyl)propanoate
EC Number	262-853-7
IUPAC Name	methyl 2-[4-(2-methylpropyl)phenyl]propanoate
InChI	InChI=1S/C14H20O2/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(15)16-4/h5-8,10-11H,9H2,1-4H3
InChI Key	YNZYUHPFNYBBFF-UHFFFAOYSA-N
MDL Number	MFCD00869922
Molecular Formula	C14H20O2
Molecular Weight	220.3074
SMILES	CC(C1=CC=C(CC(C)C)C=C1)C(OC)=O
Synonyms	Methyl 2-(4-isobutylphenyl)propanoate, Ibuprofen methyl ester, 61566-34-5, Motrin methyl ester, Methyl 2-(4-isobutylphenyl)propionate, methyl 2-[4-(2-methylpropyl)phenyl]propanoate, 2-(4-Isobutylphenyl)propionic acid methyl ester, Racemic ibuprofen methyl ester, S-(+)-Ibuprofen methyl ester, YNZYUHPFNYBBFF-UHFFFAOYSA-N, (2R/S)-2-(4-Isobutylphenyl)-propionic acid methyl ester, Benzeneacetic acid, |A-methyl-4-(2-methylpropyl)-,methyl ester, Ibuprofen methyl, Ibuprofen methyl ester, racemic, EINECS 262-853-7, ibuprofen methylester, ibuprofen-methyl-ester, Ibuprofen methyl deriv, AC1Q5YRD, Methyl ester of Ibuprofen, Ibuprofen, Methyl Deriv., Ibuprofen methyl derivative, SCHEMBL576873, (+/-)-Ibuprofen methyl ester, AC1L35F4, CHEMBL191471, CTK5B3435, ZX-AT001174, BBL103755, Benzeneacetic acid, .alpha.-methyl-4-(2-methylpropyl)-, methyl ester, MFCD00869922, OR0631, SBB095999, STL557565, Methyl 2-(p-isobutylphenyl)propionate, AKOS025213841, Methyl 2-(4'-isobutylphenyl)propanoate, methyl 2-(4isobutyl-phenyl)-propionate, CC-30349, methyl alpha-(4-isobutylphenyl)propionate, DB-072990, FT-0628383, 2-(p-isobutylphenyl)propionic acid methyl ester, C-33204, methyl 2-(4-isobutylphenyl)propanoate, AldrichCPR, Methyl 2-[4-(2-methylprop-1-yl)phenyl]propanoate, Methyl 2-[4-(2-methylprop-1-yl)phenyl]propionate, ( inverted exclamation markA)-Ibuprofen Methyl Ester, I14-106604, 2-[4-(2-methyl-propyl)-phenyl]-propionic acid methyl ester, 114376-60-2, Methyl2- propanoate, UNII-8F58KSV2GP, 8F58KSV2GP, AR-1J4397, CID109101, C14-H20-O2, Methyl 2-(4-isopropylphenyl)propionate, METHYL2-(4-ISOBUTYLPHENYL)PROPANOATE, methyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate, 6282-61-7, 81576-57-0,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.146g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	220.312g/mol
Monoisotopic Mass	220.146g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number