3,4-Furandicarboxylic Acid

Catalog Number	ACM3387266-2
CAS	3387-26-6
Structure
Synonyms	Furan-3,4-dicarboxylic acid
IUPAC Name	furan-3,4-dicarboxylic acid
Molecular Weight	156.09
Molecular Formula	C6H4O5
Canonical SMILES	C1=C(C(=CO1)C(=O)O)C(=O)O
InChI	InChI=1S/C6H4O5/c7-5(8)3-1-11-2-4(3)6(9)10/h1-2H,(H,7,8)(H,9,10)
InChI Key	SYLAFCZSYRXBJF-UHFFFAOYSA-N
Boiling Point	372.6 ºC at 760 mmHg
Melting Point	212-214 ºC
Flash Point	179.2 ºC
Purity	97%
Density	1.604 g/cm³
Appearance	Off-white powder
Complexity	167
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
EC Number	222-210-3
Exact Mass	156.00587322g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Monoisotopic Mass	156.00587322g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	87.7Ų