AG00357R

57595-23-0 | Methyl 4-oxotetrahydrofuran-3-carboxylate

AG00357R

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CAS Number	57595-23-0
Catalog Number	AG00357R(AGN-PC-002B8V)
Chemical Name	Methyl 4-oxotetrahydrofuran-3-carboxylate
IUPAC Name	methyl 4-oxooxolane-3-carboxylate
InChI	InChI=1S/C6H8O4/c1-9-6(8)4-2-10-3-5(4)7/h4H,2-3H2,1H3
InChI Key	FCUDJBUBWCJOLK-UHFFFAOYSA-N
MDL Number	MFCD19707049
Molecular Formula	C6H8O4
Molecular Weight	144.1253
SMILES	COC(=O)C1COCC1=O
Synonyms	Methyl 4-oxotetrahydrofuran-3-carboxylate, 57595-23-0, METHYL 4-OXOOXOLANE-3-CARBOXYLATE, 3-Furancarboxylic acid, tetrahydro-4-oxo-, methyl ester, SCHEMBL1566094, CTK5A7131, DTXSID50562789, FCUDJBUBWCJOLK-UHFFFAOYSA-N, 4-carbomethoxytetrahydro-3-furanone, CS-D0559, KS-000008GI, 8499AB, ANW-58758, MFCD19707049, RW4061, AKOS005266433, AKOS016842995, PB18290, WT82067, AK-67873, DS-16817, SY014732, methyl tetrahydro-4-oxofuran-3-carboxylate, 4-oxo-3-oxolanecarboxylic acid methyl ester, methyl 4-oxidanylideneoxolane-3-carboxylate, TX-012425, ST24047945, MFCD19707049 (95%), C-8422, A831514, 4-oxo-tetrahydrofuran-3-carboxylic acid methyl ester, 4-Oxotetrahydrofuran-3-carboxylic acid methyl ester, tetrahydrofuran-3-one-4-carboxylic acid-methyl ester, 3-Furancarboxylic acid,tetrahydro-4-oxo-,methyl ester, 4-oxo-tetrahydro furane 3-carboxylic acid methyl ester, 4-oxo-tetrahydro-furan-3-carboxylic acid methyl ester, C6H8O4,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	144.042g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	144.126g/mol
Monoisotopic Mass	144.042g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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