AG003QKX

39251-88-2 | N-Octyl 2-furancarboxylate

AG003QKX

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CAS Number	39251-88-2
Catalog Number	AG003QKX(AGN-PC-0JL58Z)
Chemical Name	N-Octyl 2-furancarboxylate
EC Number	254-378-9
FEMA Number	3518
IUPAC Name	octyl furan-2-carboxylate
InChI	InChI=1S/C13H20O3/c1-2-3-4-5-6-7-10-16-13(14)12-9-8-11-15-12/h8-9,11H,2-7,10H2,1H3
InChI Key	WVTHGLPXSATJHZ-UHFFFAOYSA-N
MDL Number	MFCD00209524
Molecular Formula	C13H20O3
Molecular Weight	224.2961
SMILES	O=C(C1=CC=CO1)OCCCCCCCC
UNII	FO88UQ934J
Synonyms	Octyl 2-furoate, n-Octyl 2-Furancarboxylate, octyl furan-2-carboxylate, 39251-88-2, Octyl 2-furancarboxylate, 2-Furancarboxylic acid, octyl ester, UNII-FO88UQ934J, FEMA 3518, FO88UQ934J, FEMA No. 3518, EINECS 254-378-9, n-Octyl 2-Furoate, AC1L1Y0G, 1-octyl furan-2-carboxylate, Octyl 2-furoate, AldrichCPR, 2-Furoic Acid n-Octyl Ester, ACMC-209j48, SCHEMBL3506021, CTK4I1191, DTXSID30192503, WVTHGLPXSATJHZ-UHFFFAOYSA-N, 2-Furancarboxylic acid octyl ester, 2-Furancarboxylic acid,octyl ester, ZINC1849647, ANW-29046, MFCD00209524, 2-Furancarboxylic Acid n-Octyl Ester, 2-Furancarboxylic acid, n.-octyl ester, TC-117791, F0458, I14-100432, CID62901, C13-H20-O3,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.141g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	224.3g/mol
Monoisotopic Mass	224.141g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	39.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number