AG003Q2J

3943-91-7 | Ethyl 2,5-dihydroxybenzoate

AG003Q2J

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CAS Number	3943-91-7
Catalog Number	AG003Q2J(AGN-PC-0JLQRU)
Chemical Name	Ethyl 2,5-dihydroxybenzoate
EC Number	223-530-6
IUPAC Name	ethyl 2,5-dihydroxybenzoate
InChI	InChI=1S/C9H10O4/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5,10-11H,2H2,1H3
InChI Key	GCUPAENRSCPHBM-UHFFFAOYSA-N
MDL Number	MFCD02114094
Molecular Formula	C9H10O4
Molecular Weight	182.1733
SMILES	O=C(OCC)C1=CC(O)=CC=C1O
Synonyms	Ethyl 2,5-dihydroxybenzoate, 3943-91-7, Benzoic acid, 2,5-dihydroxy-, ethyl ester, CHEMBL2333584, GCUPAENRSCPHBM-UHFFFAOYSA-N, ethyl gentisate, EINECS 223-530-6, ACMC-20al1i, AC1L2TAJ, Gentisic acid, ethyl ester, AC1Q64GX, SCHEMBL39259, mono ethoxycarbonyl hydroquinone, Ethyl 2,5-dihydroxybenzoate #, CTK4I4825, DTXSID90192600, ZINC404022, Ethyl 2,5-dihydroxybenzoate, 97%, BDBM50428374, 2,5-dihydroxybenzoic acid ethyl ester, AKOS022641002, MCULE-9766627438, 2,5-dihydroxy-benzoic acid ethyl ester, ETHYL 2 5-DIHYDROXYBENZOATE 97, Benzoic acid,2,4-dihydroxy-, ethyl ester, Benzoic acid,2,5-dihydroxy-, ethyl ester, TC-166941, ST51045573, CID77548, ETHYL25-DIHYDROXYBENZOATE97, AR-1I8184, C9-H10-O4, 4143-00-4, 4436-30-0,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.058g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	182.175g/mol
Monoisotopic Mass	182.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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