AG0024DY

183108-31-8 | Benzoic acid, 2-ethyl-3-hydroxy-, methyl ester

AG0024DY

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CAS Number	183108-31-8
Catalog Number	AG0024DY(AGN-PC-01MBAA)
Chemical Name	Benzoic acid, 2-ethyl-3-hydroxy-, methyl ester
IUPAC Name	methyl 2-ethyl-3-hydroxybenzoate
InChI	InChI=1S/C10H12O3/c1-3-7-8(10(12)13-2)5-4-6-9(7)11/h4-6,11H,3H2,1-2H3
InChI Key	VHTOSWDSMXRKJC-UHFFFAOYSA-N
MDL Number	MFCD22490933
Molecular Formula	C10H12O3
Molecular Weight	180.2005
SMILES	CCC1=C(C=CC=C1O)C(=O)OC
Synonyms	Methyl 2-ethyl-3-hydroxybenzoate, 183108-31-8, AK100902, SCHEMBL2655486, CTK8C3214, KS-00000QVZ, DTXSID80590999, ANW-69822, MFCD22490933, ZINC82046831, AKOS016001607, DS-3644, FCH2044148, AJ-124526, AX8241811, TC-158567, ST24025234, Benzoic acid, 2-ethyl-3-hydroxy-, methyl ester, Methyl2-ethyl-3-hydroxybenzoate,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.079g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.203g/mol
Monoisotopic Mass	180.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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