AG003MQ1

51-27-4 | 5-Ethyl-2-hydroxybenzoic acid

AG003MQ1

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CAS Number	51-27-4
Catalog Number	AG003MQ1(AGN-PC-0JRA5V)
Chemical Name	5-Ethyl-2-hydroxybenzoic acid
IUPAC Name	5-ethyl-2-hydroxybenzoic acid
InChI	InChI=1S/C9H10O3/c1-2-6-3-4-8(10)7(5-6)9(11)12/h3-5,10H,2H2,1H3,(H,11,12)
InChI Key	WYIAFSIUYJGIPU-UHFFFAOYSA-N
MDL Number	MFCD11203618
Molecular Formula	C9H10O3
Molecular Weight	166.1739
SMILES	c1c(ccc(c1C(=O)O)O)CC
Synonyms	5-ethyl-2-hydroxybenzoic acid, 51-27-4, Benzoic acid, 5-ethyl-2-hydroxy-, 5-ethyl-2-hydroxy-benzoic Acid, AC1L96CW, AC1Q2TB7, 5-Ethyl-2-hydroxybenzoicAcid, SCHEMBL418713, 2-Hydroxy-5-ethylbenzoic acid, CHEMBL3228636, CTK8E1820, KS-00000CQR, WYIAFSIUYJGIPU-UHFFFAOYSA-N, ZINC3592644, 6359AJ, MFCD11203618, AKOS005150596, MB09459, MCULE-6148493460, TRA-0181083, AJ-45064, AS-32061, SY015701, AB0054339, TR-004938, EN300-61481, Z-4334, MFCD11203618 (97+%), Benzoicacid,5-ethyl-2-hydroxy-, C9H10O3, CID438930, 13704-09-1,

Complexity	167
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	2
Isotope Atom Count	0
Molecular Weight	166.176g/mol
Monoisotopic Mass	166.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number