AG00CLQZ

36837-50-0 | Methyl 3-(3-tert-butyl-4-hydroxyphenyl)propionate

AG00CLQZ

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CAS Number	36837-50-0
Catalog Number	AG00CLQZ(AGN-PC-0KP0LA)
Chemical Name	Methyl 3-(3-tert-butyl-4-hydroxyphenyl)propionate
IUPAC Name	methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate
InChI	InChI=1S/C14H20O3/c1-14(2,3)11-9-10(5-7-12(11)15)6-8-13(16)17-4/h5,7,9,15H,6,8H2,1-4H3
InChI Key	TVUZOWCUYWPFPN-UHFFFAOYSA-N
MDL Number	MFCD19441367
Molecular Formula	C14H20O3
Molecular Weight	236.3068
SMILES	O=C(OC)CCC1=CC=C(O)C(C(C)(C)C)=C1
Synonyms	36837-50-0, Methyl 3-(3-(tert-butyl)-4-hydroxyphenyl)propanoate, Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-, methyl ester, AC1MJ2YA, SCHEMBL490455, DTXSID2074039, CTK1C4436, KS-00000TXO, TVUZOWCUYWPFPN-UHFFFAOYSA-N, MFCD19441367, ZINC78846846, AKOS030524137, AK551046, DS-19571, methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate, 3-tert-Butyl-4-hydroxybenzenepropanoic acid methyl ester, METHYL 3-(3-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONATE, 3-(3-tert-butyl-4-hydroxy-phenyl)-propionic acid methyl ester, 3-(4-hydroxy-3-tert.butylphenyl) propionic acid methyl ester, CID3084638,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.141g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	236.311g/mol
Monoisotopic Mass	236.141g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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

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