AG003LB9

619-86-3 | 4-Ethoxybenzoic acid

AG003LB9

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CAS Number	619-86-3
Catalog Number	AG003LB9(AGN-PC-0JKAEP)
Chemical Name	4-Ethoxybenzoic acid
EC Number	210-616-3
IUPAC Name	4-ethoxybenzoic acid
InChI	InChI=1S/C9H10O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChI Key	SHSGDXCJYVZFTP-UHFFFAOYSA-N
MDL Number	MFCD00002545
Molecular Formula	C9H10O3
Molecular Weight	166.1739
NSC Number	8705
SMILES	CCOc1ccc(cc1)C(=O)O
UNII	TZR23XEQ7W
Synonyms	4-ETHOXYBENZOIC ACID, 619-86-3, p-Ethoxybenzoic acid, Benzoic acid, 4-ethoxy-, Benzoic acid, p-ethoxy-, 4-EthoxybenzoicAcid, 4-Ethoxy-benzoic acid, UNII-TZR23XEQ7W, TZR23XEQ7W, SHSGDXCJYVZFTP-UHFFFAOYSA-N, MFCD00002545, 4ethoxybenzoic acid, NSC 8705, EINECS 210-616-3, PubChem2686, para-Ethoxybenzoic acid, Benzoicacid, 4-ethoxy-, AI3-20152, AC1L1YTX, 1-carboxy-4-ethoxybenzene, AKOS BBB/248, 4-Ethoxybenzoic acid, 99%, 4-ETHYLOXYBENZOIC ACID, ETHOXYBENZOIC ACID,4-, SCHEMBL177390, AC1Q36B6, ACMC-1B215, ARONIS009499, CHEMBL324769, RARECHEM AL BO 0060, DTXSID2060709, CTK2F3930, KS-00000CUT, TIMTEC-BB SBB015394, Benzoic acid, p-ethoxy- (8CI), NSC8705, ZINC120469, NSC-8705, AKOS BBS-00003741, AKOS A1231-3114, ANW-34025, SBB015394, STK397793, AKOS000119552, AS02555, CM12707, MCULE-2715104358, PS-5022, RP22894, RTR-037301, TRA0077139, VZ36755, KS-0000413E, OTAVA-BB 0109160022, AJ-11705, AK112939, AN-46676, SC-81141, DB-001293, TL8004008, TR-037301, E0045, FT-0618382, ST24023528, ST45046240, A-8442, AH-034/32461045, I01-5471, W-105062, Z56759338, F3034-0323, 81J, InChI=1/C9H10O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11, C9H10O3, CID12093, C9-H10-O3, 4-Ethoxybenzoic acid, 99% - 100G 100g,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.063g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	166.176g/mol
Monoisotopic Mass	166.063g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number