AG002G0A

19247-87-1 | Ethyl 4-(5-formyl-2-furyl)benzoate

AG002G0A

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CAS Number	19247-87-1
Catalog Number	AG002G0A(AGN-PC-0JTPP6)
Chemical Name	Ethyl 4-(5-formyl-2-furyl)benzoate
IUPAC Name	ethyl 4-(5-formylfuran-2-yl)benzoate
InChI	InChI=1S/C14H12O4/c1-2-17-14(16)11-5-3-10(4-6-11)13-8-7-12(9-15)18-13/h3-9H,2H2,1H3
InChI Key	UWLKFGFYBKJASW-UHFFFAOYSA-N
MDL Number	MFCD00778531
Molecular Formula	C14H12O4
Molecular Weight	244.2427
SMILES	O=C(OCC)C1=CC=C(C2=CC=C(C=O)O2)C=C1
Synonyms	Ethyl 4-(5-formyl-2-furyl)benzoate, 19247-87-1, ethyl 4-(5-formylfuran-2-yl)benzoate, 4-(5-Formyl-furan-2-yl)-benzoic acid ethyl ester, MLS000332824, UWLKFGFYBKJASW-UHFFFAOYSA-N, 4-(5-formyl-2-furanyl)benzoic acid ethyl ester, ethyl 4-(5-methanoylfuran-2-yl)benzoate, SMR000436185, 4-(5-Formyl-furan-2-yl)benzoic acid ethyl ester, AC1LCWVR, ACMC-1BRCT, Oprea1_217295, 5-(p-carbethoxyphenyl)furfural, cid_608139, SCHEMBL1787240, CHEMBL1300605, BDBM47981, CTK3J6368, TOS-BB-0636, ZINC35746, DTXSID70345935, ethyl (5-formyl-2-furyl)benzoate, HMS2794C20, AC1Q3404, ALBB-001098, BBL012751, SBB000839, STK085744, AKOS000100211, ethyl 4-(5-formyl-2-furanyl)benzoate, MCULE-9075670327, RTR-008940, VZ27842, Ethyl 4-(5-formyl-2-furyl)benzoate #, AS-40666, ST005522, ZB000957, AB0129937, DB-044800, TR-008940, BB 0217319, FT-0637818, R3792, EN300-08143, 4-(5-formyl-2-furyl)benzoic acid ethyl ester, 4-(5-Formyl-furan-2-yl)benzoic acid ethylester, 4-(5-formylfuran-2-yl)benzoic acid ethyl ester, A813580, AH-034/06215031, 4-(5-Formyl-furan-2-yl)-benzoic acid ethyl ester, Benzoic acid, 4-(5-formyl-2-furyl)-, ethyl ester, Benzoic acid, 4-(5-formyl-2-furanyl)-, ethyl ester, I01-13115, CID608139, MFCD00778531, ZINC00035746,

Complexity	294
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.074g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	244.246g/mol
Monoisotopic Mass	244.074g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	56.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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