AG003769

5904-71-2 | Methyl 5-formyl-2-furancarboxylate

AG003769

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CAS Number	5904-71-2
Catalog Number	AG003769(AGN-PC-0NID1L)
Chemical Name	Methyl 5-formyl-2-furancarboxylate
IUPAC Name	methyl 5-formylfuran-2-carboxylate
InChI	InChI=1S/C7H6O4/c1-10-7(9)6-3-2-5(4-8)11-6/h2-4H,1H3
InChI Key	KDPOOUQFAUOHHX-UHFFFAOYSA-N
MDL Number	MFCD06803263
Molecular Formula	C7H6O4
Molecular Weight	154.1201
SMILES	C(=O)C1=CC=C(O1)C(=O)OC
Synonyms	5904-71-2, methyl 5-formylfuran-2-carboxylate, Methyl 5-formyl-2-furoate, METHYL 5-FORMYL-2-FURANCARBOXYLATE, 5-formyl-2-furancarboxylic acid methyl ester, 2-Furancarboxylic acid, 5-formyl-, methyl ester, EC-000.1545, AC1Q43GS, SCHEMBL2324097, CTK1G7964, DTXSID00484260, KDPOOUQFAUOHHX-UHFFFAOYSA-N, KS-000002AQ, ZINC8728864, 5-(methoxycarbonyl)-2-fural-dehyde, methyl 5-formyl-2-furan carboxylate, Methyl 5 - formyl - 2 - furoate, MFCD06803263, AKOS002329431, MCULE-3052536141, NE55782, BS-13488, DB-072561, 5-Formylfuran-2-carboxylic acid methyl ester, BB 0220437, FT-0696842, FT-0696845, ST50813734, 5-Formyl-furan-2-carboxylic acid methyl ester, EN300-37403, 3,5-DINITROTOLUENE,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.027g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	154.121g/mol
Monoisotopic Mass	154.027g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	56.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code	\N

Certificate of Analysis

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