AG002QIT

2511-22-0 | BENZOIC ACID, 3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXY-, METHYL ESTER

AG002QIT

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CAS Number	2511-22-0
Catalog Number	AG002QIT(AGN-PC-0JLPHR)
Chemical Name	BENZOIC ACID, 3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXY-, METHYL ESTER
EC Number	219-729-2
IUPAC Name	methyl 3,5-ditert-butyl-4-hydroxybenzoate
InChI	InChI=1S/C16H24O3/c1-15(2,3)11-8-10(14(18)19-7)9-12(13(11)17)16(4,5)6/h8-9,17H,1-7H3
InChI Key	UPVYFJALDJUSOV-UHFFFAOYSA-N
MDL Number	MFCD00017253
Molecular Formula	C16H24O3
Molecular Weight	264.3600
SMILES	O=C(OC)C1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1
Synonyms	Methyl 3,5-di-tert-butyl-4-hydroxybenzoate, 2511-22-0, UPVYFJALDJUSOV-UHFFFAOYSA-N, Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester, MFCD00017253, 3,5-Di-tert-butyl-4-hydroxybenzoic acid methyl ester, methyl 3,5-ditert-butyl-4-hydroxybenzoate, 3,5-Bis(1,1-dimethylethyl)-4-hydroxy-benzoic acid ethyl ester, EINECS 219-729-2, ACMC-20akhp, Methyl 3,5-bis-tert-butyl-4-hydroxybenzoate, AC1Q42WB, AC1Q5Z4C, SCHEMBL755528, AC1L2P77, CHEBI:88829, CTK4F5006, Benzoic acid, 3,5-di-tert-butyl-4-hydroxy-, methyl ester, ZINC394586, STK365477, AKOS005442490, ACM2511220, MCULE-2489873571, SC-21319, ZB012386, DB-046626, TC-166228, FT-0628517, Methyl 3,5-di-tert.butyl-4-hydroxylbenzoate, ST50409753, methyl 3,5-bis(tert-butyl)-4-hydroxybenzoate, C-57690, Methyl 3,5-di-tert-butyl-4-hydroxybenzoate, 98%, 3,5-Di-tert-butyl-4-hydroxybenzoic acid, methyl ester, I14-111255, Benzoic acid, 4-hydroxy-3,5-di-tert-butyl, methyl ester, 3,5-DITERT.BUTYL,4-HYDROXY-BENZOIC ACID,METHYL ESTER, 3,5-bis(1,1-dimethylethyl)-4-hydroxybenzoic acid, methyl ester, Benzoic acid,3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester, InChI=1/C16H24O3/c1-15(2,3)11-8-10(14(18)19-7)9-12(13(11)17)16(4,5)6/h8-9,17H,1-7H, C16H24O3, CID75639, AR-1J5032, ZINC00394586, C16-H24-O3, METHYL3,5-DI-TERT-BUTYL-4-HYDROXYBENZOATE, 25627-97-8,

Complexity	298
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	264.173g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	264.365g/mol
Monoisotopic Mass	264.173g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335-H413
Packing Group
Precautionary statements	P261-P273-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number