AG0090ED

105580-41-4 | 4-Acetyl-benzoic acid tert-butyl ester

AG0090ED

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	105580-41-4
Catalog Number	AG0090ED(AGN-PC-00O78K)
Chemical Name	4-Acetyl-benzoic acid tert-butyl ester
IUPAC Name	tert-butyl 4-acetylbenzoate
InChI	InChI=1S/C13H16O3/c1-9(14)10-5-7-11(8-6-10)12(15)16-13(2,3)4/h5-8H,1-4H3
InChI Key	QXQXBZLXIAUIBG-UHFFFAOYSA-N
MDL Number	MFCD17676586
Molecular Formula	C13H16O3
Molecular Weight	220.2643
SMILES	O=C(OC(C)(C)C)C1=CC=C(C(C)=O)C=C1
Synonyms	tert-butyl 4-acetylbenzoate, 105580-41-4, 4-Acetyl-benzoic acid tert-butyl ester, AK123118, t-butyl 4-acetylbenzoate, SCHEMBL4517212, CTK8D3656, DTXSID60551129, QXQXBZLXIAUIBG-UHFFFAOYSA-N, 1259AA, MFCD17676586, ZINC34165630, 4-acetylbenzoic acid tert-butyl ester, AKOS015890896, CS-W023005, DS-2865, KS-00000R65, AJ-87270, SC-90893, AX8247296, DB-059371, ST2413911, TC-071943, 4CH-016760, FT-0759154, A25999, Benzoic acid, 4-acetyl-, 1,1-dimethylethyl ester, I01-8676, tert-Butyl4-acetylbenzoate, C13H16O3,

Complexity	267
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.11g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	220.268g/mol
Monoisotopic Mass	220.11g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number