AG00BFGI

2240-81-5 | Tetrahydrofuran-2,5-dicarboxylic Acid

AG00BFGI

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CAS Number	2240-81-5
Catalog Number	AG00BFGI(AGN-PC-0O80F9)
Chemical Name	Tetrahydrofuran-2,5-dicarboxylic Acid
IUPAC Name	(2S,5R)-oxolane-2,5-dicarboxylic acid
InChI	InChI=1S/C6H8O5/c7-5(8)3-1-2-4(11-3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4+
InChI Key	CWZQRDJXBMLSTF-ZXZARUISSA-N
MDL Number	MFCD00997640
Molecular Formula	C6H8O5
Molecular Weight	160.1247
SMILES	O=C([C@H]1O[C@@H](C(O)=O)CC1)O
Synonyms	2240-81-5, cis-Tetrahydrofuran-2,5-dicarboxylic acid, (2R,5S)-Oxolane-2,5-dicarboxylic acid, SCHEMBL68843, 2,5-Biscarboxytetrahydrofuran, CTK8G3391, ZINC1672238, MFCD22494893, AKOS016011538, FCH2680184, SB12306, AJ-65328, AK109434, AS-51666, BBV-54484263, AX8225074, CS-0054082, rel-(2R,5S)-oxolane-2,5-dicarboxylic acid, cis-2H,5H-dihydrofuran-2,5-dicarboxylic acid, EN300-217261, (2R,5S)-tetrahydrofuran-2,5-dicarboxylic acid, erythro-Hexaric acid, 2,5-anhydro-3,4-dideoxy-, (2alpha,5alpha)-Tetrahydro-2,5-furandicarboxylic acid, Tetrahydrofuran-2,5-dicarboxylic acid, 2043-98-3, 91532-33-1,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	160.037g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	160.125g/mol
Monoisotopic Mass	160.037g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	83.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

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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