AG00340R

619-64-7 | 4-Ethylbenzoic acid

AG00340R

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CAS Number	619-64-7
Catalog Number	AG00340R(AGN-PC-0052KN)
Chemical Name	4-Ethylbenzoic acid
EC Number	210-605-3
IUPAC Name	4-ethylbenzoic acid
InChI	InChI=1S/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChI Key	ZQVKTHRQIXSMGY-UHFFFAOYSA-N
MDL Number	MFCD00002570
Molecular Formula	C9H10O2
Molecular Weight	150.1745
NSC Number	59888
SMILES	C(C)C1=CC=C(C(=O)O)C=C1
UNII	9TKM8P0G6R
Synonyms	4-ethylbenzoate, 4-ethylbenzoic acid, 4-ETHYLBENZOIC ACID, 619-64-7, Benzoic acid, 4-ethyl-, p-Ethylbenzoic acid, 4-Ethyl Benzoic acid, 4-Ethyl-benzoic acid, UNII-9TKM8P0G6R, MFCD00002570, 9TKM8P0G6R, CHEBI:90074, ZQVKTHRQIXSMGY-UHFFFAOYSA-N, 4-Ethylbenzoic acid, 97%, p-Ethylbenzoate, 4-Ethyl Benzoate, 4-EthylbenzoicAcid, NSC59888, EINECS 210-605-3, NSC 59888, p-Ethylbenzoic acid;, Benzoicacid, 4-ethyl-, AC1L1YTC, AC1Q2TFC, Maybridge1_002160, ACMC-209my8, 4-Ethylbenzoic acid, 99%, SAMPL4, O3, SCHEMBL19901, MLS000849800, CHEMBL100768, EBD555, DTXSID3073212, CTK2F2920, HMS547K04, KS-00000CBJ, ZQVKTHRQIXSMGY-UHFFFAOYSA-, BDBM197304, HMS2799N19, ZINC132913, STR02825, ANW-34014, BBL027389, NSC-59888, SBB037877, STL168364, AKOS000119402, MCULE-8997428239, MP-2198, PS-4186, RP21369, RTR-021311, TRA0070208, VZ28969, NCGC00246660-01, AJ-12149, AK114313, AN-46666, BC250059, SMR000455818, ST081376, SY002548, TL806445, AB0008250, AB1003813, ST2411397, TR-021311, CS-0030581, E0379, FT-0618404, MFCD00002570 (98%), AE-641/00011036, I01-0585, I01-7651, W-105068, F0001-1646, Z1258992605, InChI=1/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11), EGM, 4-ethylbenzoate, null, Acide ethyl-p-benzoique, Acide ethyl-4-benzoique, 1-bromomethyl-4-ethyl-benzene, C9H10O2, Benzoic acid, 4-ethyl- (9CI), CID12086, C9-H10-O2, 4-Ethylbenzoic acid, 99% - 100G 100g,

Complexity	135
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	150.068g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	150.177g/mol
Monoisotopic Mass	150.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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

Lot Number