AG00I8XC

5003-48-5 | Benzoic acid, 2-(acetyloxy)-, 4-(acetylamino)phenyl ester

AG00I8XC

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CAS Number	5003-48-5
Catalog Number	AG00I8XC(AGN-PC-0JKFOK)
Chemical Name	Benzoic acid, 2-(acetyloxy)-, 4-(acetylamino)phenyl ester
EC Number	225-674-5
IUPAC Name	(4-acetamidophenyl) 2-acetyloxybenzoate
InChI	InChI=1S/C17H15NO5/c1-11(19)18-13-7-9-14(10-8-13)23-17(21)15-5-3-4-6-16(15)22-12(2)20/h3-10H,1-2H3,(H,18,19)
InChI Key	FEJKLNWAOXSSNR-UHFFFAOYSA-N
MDL Number	MFCD00864257
Molecular Formula	C17H15NO5
Molecular Weight	313.3047
SMILES	O=C(OC1=CC=C(NC(C)=O)C=C1)C2=CC=CC=C2OC(C)=O
UNII	W1QX9DV96G
Synonyms	2-acetoxy-4'-acetaminophenylbenzoate, 4-acetamidophenyl-O-acetylsalicylate, Benoral, benorilate, benorylate, Salipran, Benorilate, BENORYLATE, 5003-48-5, 4-acetamidophenyl 2-acetoxybenzoate, Benoral, Benortan, Salipran, Fenasparate, Fenasprate, Aspirin acetaminophen ester, Benorilato, Benorilato [Spanish], p-Acetamidophenyl acetylsalicylate, Benorilatum [INN-Latin], Benorilato [INN-Spanish], UNII-W1QX9DV96G, p-N-Acetylaminophenylacetylsalicylate, TO 125, WIN 11450, 2-Acetoxy-4'-(acetamino)phenylbenzoate, 4'-(Acetamido)phenyl-2-acetoxybenzoate, CCRIS 1739, 4-Acetamidophenyl salicylate acetate, Benzoic acid, 2-(acetyloxy)-, 4-(acetylamino)phenyl ester, EINECS 225-674-5, BRN 2166628, W1QX9DV96G, 2-(Acetyloxy)benzoic acid 4-(acetylamino)phenyl ester, C17H15NO5, (4-acetamidophenyl) 2-acetyloxybenzoate, Salicylic acid, acetate, ester with 4'-hydroxyacetanilide, NCGC00167468-01, AK115730, 4-(Acetylamino)phenyl 2-(acetyloxy)benzoate, DSSTox_CID_2649, DSSTox_RID_76674, DSSTox_GSID_22649, Benorilatum, Quinexin, CAS-5003-48-5, Benorilate [INN:DCF], Benorilate [INN:BAN:DCF], Benorilate,(S), Benorilate (INN), AC1L2HMR, SCHEMBL25167, 2-(acetyloxy)-Benzoicacid 4-(acetylamino)phenylester, CHEMBL162036, ZINC1003, DTXSID5022649, KS-00000FOO, CHEBI:135340, FEJKLNWAOXSSNR-UHFFFAOYSA-N, BCPP000346, BCP13353, Tox21_112472, MFCD00864257, WIN-11450, AKOS016010035, Tox21_112472_1, API0000421, KS-5206, RP06911, NCGC00167468-02, AJ-07948, AS-13290, H819, BCP0726000190, AX8115336, HY-107795, LS-144212, ST2405499, 4CH-017595, CS-0030669, FT-0740917, 4-(Acetylamino)phenyl 2-(acetyloxy)benzoate #, A18816, D07291, SR-01000944978, J-514276, SR-01000944978-1, Benzoic acid, 2-(acetyloxy)-, 4-(acetylamino)phenyl ester (9CI), Benorylate hydrochloride, Benorilate [DCF:INN], D08GJO, 4-Acetamidophenyl2-acetoxybenzoate, CID21102, 4-acetamidophenyl-O-acetylsalicylate, 2-acetoxy-4'-acetaminophenylbenzoate, C17-H15-N-O5, CS-O-30540, B4827, C084830, Salicylic acid acetate, ester with 4'-hydroxyacetanilide, salicylic acid acetate, ester with 4-hydroxyacetanilide,

Complexity	442
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	313.095g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	313.309g/mol
Monoisotopic Mass	313.095g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	81.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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