AG000UAI

13031-43-1 | 4-Acetylphenyl acetate

AG000UAI

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CAS Number	13031-43-1
Catalog Number	AG000UAI(AGN-PC-0JLUA5)
Chemical Name	4-Acetylphenyl acetate
EC Number	235-894-3
IUPAC Name	(4-acetylphenyl) acetate
InChI	InChI=1S/C10H10O3/c1-7(11)9-3-5-10(6-4-9)13-8(2)12/h3-6H,1-2H3
InChI Key	SMIOEQSLJNNKQF-UHFFFAOYSA-N
MDL Number	MFCD00017229
Molecular Formula	C10H10O3
Molecular Weight	178.1846
NSC Number	41974
SMILES	CC(=O)OC1=CC=C(C=C1)C(C)=O
UNII	EO1XK390JF
Synonyms	4-Acetylphenyl acetate, 13031-43-1, 4'-Acetoxyacetophenone, 4-Acetoxyacetophenone, p-Acetoxyacetophenone, p-Acetylphenyl acetate, (4-acetylphenyl) acetate, 4-acetoxy acetophenone, Ethanone, 1-[4-(acetyloxy)phenyl]-, UNII-EO1XK390JF, 4-acetoxy-acetophenone, EO1XK390JF, CHEBI:86558, SMIOEQSLJNNKQF-UHFFFAOYSA-N, MFCD00017229, Ethanone, 1-(4-(acetyloxy)phenyl)-, EINECS 235-894-3, NSC 41974, (4-acetylphenol)acetate, 4'-acetoxy-acetophenone, AI3-10544, AC1Q1LAI, AC1Q1LAJ, timtec-bb sbb005780, ACMC-209bi5, bmse010101, AC1L34MH, DSSTox_CID_24534, DSSTox_RID_80297, DSSTox_GSID_44534, (4-ethanoylphenyl) ethanoate, SCHEMBL1142839, 4-(ACETATE)ACETOPHENONE, CHEMBL2271145, DTXSID9044534, 4-CH3COO-C6H4-COCH3, CTK8B0039, KS-00000NWM, 1-[4-(Acetyloxy)phenyl]ethanone, 1-[4-(acetyloxy)phenyl]-ethanon, acetic acid (4-acetylphenyl) ester, ACT08043, NSC41974, ZINC1674871, Tox21_302228, ANW-19179, BBL011990, NSC-41974, SBB005780, STL163474, AKOS000268633, AM84255, MCULE-3875998932, NCGC00256000-01, AJ-29374, CJ-27319, SC-71762, CAS-13031-43-1, DB-041959, TC-107924, FT-0617388, ST24043177, ST50213417, Z6120, A806065, I01-6136, J-005787, Z28188387, C10H10O3, 4-Aminobutyramide monohydrochloride, CID83063, ACN-048698, C10-H10-O3, A1997,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.187g/mol
Monoisotopic Mass	178.063g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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