AG00DM2G

5556-20-7 | Ethyl 3-hydroxy-1-benzothiophene-2-carboxylate

AG00DM2G

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CAS Number	5556-20-7
Catalog Number	AG00DM2G(AGN-PC-0AAGK0)
Chemical Name	Ethyl 3-hydroxy-1-benzothiophene-2-carboxylate
IUPAC Name	ethyl 3-hydroxy-1-benzothiophene-2-carboxylate
InChI	InChI=1S/C11H10O3S/c1-2-14-11(13)10-9(12)7-5-3-4-6-8(7)15-10/h3-6,12H,2H2,1H3
InChI Key	KRXONUVWZRBHQR-UHFFFAOYSA-N
MDL Number	MFCD09753998
Molecular Formula	C11H10O3S
Molecular Weight	222.2603
SMILES	O=C(C1=C(O)C2=CC=CC=C2S1)OCC
Synonyms	ethyl 3-hydroxybenzo[b]thiophene-2-carboxylate, 5556-20-7, Ethyl 3-hydroxy-1-benzothiophene-2-carboxylate, SCHEMBL4633547, CTK1F6573, DTXSID80715645, MFCD09753998, ZINC11692174, AKOS000265215, CS-W000662, MCULE-8462568348, AK205282, DS-10401, FT-0701806, Ethyl 3-hydroxy-1-benzo[b]thiophene-2-carboxylate, 3-Hydroxybenzo[b]thiophene-2-carboxylic acid ethyl ester, Benzo[b]thiophene-2-carboxylic acid, 3-hydroxy-, ethyl ester, CID11458709, (2Z)-2-(ethoxy-hydroxy-methylidene)benzothiophen-3-one,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.035g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.258g/mol
Monoisotopic Mass	222.035g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	74.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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