AG003M2A

87-18-3 | Salicylic acid 4-tert-butylphenyl ester

AG003M2A

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CAS Number	87-18-3
Catalog Number	AG003M2A(AGN-PC-0JL79F)
Chemical Name	Salicylic acid 4-tert-butylphenyl ester
EC Number	201-728-3
IUPAC Name	(4-tert-butylphenyl) 2-hydroxybenzoate
InChI	InChI=1S/C17H18O3/c1-17(2,3)12-8-10-13(11-9-12)20-16(19)14-6-4-5-7-15(14)18/h4-11,18H,1-3H3
InChI Key	DBOSBRHMHBENLP-UHFFFAOYSA-N
MDL Number	MFCD00045759
Molecular Formula	C17H18O3
Molecular Weight	270.3230
NSC Number	33404
SMILES	OC1=C(C(=O)OC2=CC=C(C=C2)C(C)(C)C)C=CC=C1
UNII	V0H9R55TGV
Synonyms	4-TBPS compound, 4-tert-butylphenyl salicylate, 4-tert-Butylphenyl salicylate, 87-18-3, Sumisorb 90, Salicylic Acid 4-tert-Butylphenyl Ester, Viosorb 90, Seesorb 202, UV Absorber NL 3, Salicyclic acid p-tert-butylphenyl ester, p-tert-Butylphenyl salicylate, UV Absorber NL/3, UNII-V0H9R55TGV, p-tert-Butylphenylsalicylate, Benzoic acid, 2-hydroxy-, 4-(1,1-dimethylethyl)phenyl ester, Salicylic acid, p-tert-butylphenyl ester, p-terc.Butylfenylester kyseliny salicylove, EINECS 201-728-3, NSC 33404, Salicylic acid p-tert-butylphenyl ester, BRN 2130191, V0H9R55TGV, DBOSBRHMHBENLP-UHFFFAOYSA-N, p-terc.Butylfenylester kyseliny salicylove [Czech], 4-tert-butylphenyl 2-hydroxybenzoate, (4-tert-butylphenyl) 2-hydroxybenzoate, 4-(tert-Butyl)phenyl 2-hydroxybenzoate, ACMC-209qif, p-t-butylphenyl salicylate, DSSTox_CID_17745, DSSTox_RID_79371, DSSTox_GSID_37745, SCHEMBL77201, 3-10-00-00133 (Beilstein Handbook Reference), 4-(t-Butylphenyl) salicyclate, AC1L25Q5, CHEMBL3186746, DTXSID9037745, CTK5F8038, DBOSBRHMHBENLP-UHFFFAOYSA-, Salicylic acid 4-tert-butylphenyl, NSC33404, ZINC1665640, Tox21_303577, ANW-38629, MFCD00045759, NSC-33404, AKOS015838937, CAS-87-18-3, NCGC00257374-01, salicylic acid-4-tert.-butylphenyl ester, CJ-26932, DB-056978, LS-144273, TR-027288, FT-0631412, S0274, Benzoic acid, 4-(1,1-dimethylethyl)phenyl ester, C-50193, Benzoic acid,2-hydroxy-, 4-(1,1-dimethylethyl)phenyl ester, InChI=1/C17H18O3/c1-17(2,3)12-8-10-13(11-9-12)20-16(19)14-6-4-5-7-15(14)18/h4-11,18H,1-3H3, 4-TBPS compound, 4-t-butylphenyl salicylate, 4-tert-butylphenylsalicylat, C17H18O3, CID66597, BUTYLPHENYL SALICYLATE, P-TERT-, C17-H18-O3, 2-Hydroxybenzoic acid 4-(1,1-dimethylethyl)phenyl ester, C000618316,

Complexity	324
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	270.126g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	270.328g/mol
Monoisotopic Mass	270.126g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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