AG00361Z

612-19-1 | 2-Ethylbenzoic acid

AG00361Z

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CAS Number	612-19-1
Catalog Number	AG00361Z(AGN-PC-0CFTSU)
Chemical Name	2-Ethylbenzoic acid
IUPAC Name	2-ethylbenzoic acid
InChI	InChI=1S/C9H10O2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChI Key	CGMMPMYKMDITEA-UHFFFAOYSA-N
MDL Number	MFCD00045838
Molecular Formula	C9H10O2
Molecular Weight	150.1745
SMILES	C(C)C1=C(C(=O)O)C=CC=C1
Synonyms	2-Ethylbenzoic acid, 612-19-1, Benzoic acid, ethyl-, O-ETHYLBENZOIC ACID, 2-Ethylbenzoic acid, 97%, 28134-31-8, 56427-44-2, 2-Ethylbenzoicacidethylester, ethylbenzoic acid, PubChem9869, 2-Ethyl-benzoic acid, benzoic acid,2-ethyl-, AC1Q2UBN, Benzoic acid, 2-ethyl-, ACMC-1AX4G, SCHEMBL28115, AC1L1R30, CTK1A5944, KS-00000JJU, CGMMPMYKMDITEA-UHFFFAOYSA-N, ZINC396332, ANW-33730, MFCD00045838, RW4131, SBB052735, AKOS009156904, CS-W004346, MCULE-5345503463, PS-3899, QC-3658, RP01662, TRA0170098, AJ-21633, AK-77452, EN001446, SC-05729, AB0041803, DB-053813, TC-122475, A8093, FT-0632551, ST24040551, ST50949569, Y9614, Z-4239, A833105, AE-562/43460169, J-509326, I01-18030, 102606-33-7, 2-Ethylbenzoicacid, ETHYL 2-ETHYLBENZOATE, C9H10O2, Benzoic acid, 2-ethyl- (9CI), CID34170, ACN-056581, 41088-86-2, 50604-01-8,

Complexity	143
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	1.8

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