AG00349Z

13529-17-4 | 5-Formylfuran-2-carboxylic acid

AG00349Z

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CAS Number	13529-17-4
Catalog Number	AG00349Z(AGN-PC-0KL6FM)
Chemical Name	5-Formylfuran-2-carboxylic acid
IUPAC Name	5-formylfuran-2-carboxylic acid
InChI	InChI=1S/C6H4O4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H,(H,8,9)
InChI Key	SHNRXUWGUKDPMA-UHFFFAOYSA-N
MDL Number	MFCD00020924
Molecular Formula	C6H4O4
Molecular Weight	140.0936
SMILES	O=C(C1=CC=C(C=O)O1)O
Synonyms	5-formylfuran-2-carboxylic Acid, 13529-17-4, 5-Formyl-2-furancarboxylic Acid, 5-Formyl-2-furoic Acid, 5-formyl-2-furanacarboxylic acid, 5-formyl-furan-2-carboxylic acid, 2-Furancarboxylic acid,5-formyl-, 2-Furancarboxylic acid, 5-formyl-, 2-carboxy-5-formylfuran, 5-Carboxyfurfural, 5-Carboxyfurfuraldehyde, AC1MDPI4, Furfural-5-carboxylic Acid, AC1Q73EY, SCHEMBL86396, dehydromucic acid semialdehyde, ACMC-209c02, 2-formyl-5-furancarboxylic acid, 5-formyl furan-2-carboxyic acid, CHEBI:84206, CTK4B9741, KS-00000KHI, DTXSID30383151, 5-formyl 2-furan carboxylic acid, 5-formyl furan-2-carboxylic acid, 5-formyl-2-furan carboxylic acid, SHNRXUWGUKDPMA-UHFFFAOYSA-N, ZINC2566292, 6302AA, ANW-19824, BBL102586, MFCD00020924, SBB053087, STL556389, 5-Formyl-2-furoic acid, AldrichCPR, AKOS005141673, AT-4607, CS-W005879, MCULE-7453822685, QC-1714, VZ30360, AJ-41269, AK-58389, DS-16148, SC-49791, SY050542, AB0095136, TC-040185, 4CH-021549, F0338, FT-0620432, ST24044759, MFCD00020924 (98%), C20449, J-006676, I14-103024, Z1741959767, FFCA, 5-Formyl-2-furoate, 5-formyl-2-furancarboxylate, 5-formylfuran-2-carboxylate, C6H4O4, CID2793719, 5-Formyl-2-furancarboxylic acid, 98% - 1G 1g,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.011g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	140.094g/mol
Monoisotopic Mass	140.011g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	67.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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

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