AG003RY1

2527-96-0 | Methyl 5-methylfuran-2-carboxylate

AG003RY1

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CAS Number	2527-96-0
Catalog Number	AG003RY1(AGN-PC-0JMPLA)
Chemical Name	Methyl 5-methylfuran-2-carboxylate
IUPAC Name	methyl 5-methylfuran-2-carboxylate
InChI	InChI=1S/C7H8O3/c1-5-3-4-6(10-5)7(8)9-2/h3-4H,1-2H3
InChI Key	XBYZJUMTKHUJIY-UHFFFAOYSA-N
MDL Number	MFCD04116374
Molecular Formula	C7H8O3
Molecular Weight	140.1366
SMILES	O=C(C1=CC=C(C)O1)OC
Synonyms	2527-96-0, Methyl 5-methyl-2-furoate, methyl 5-methylfuran-2-carboxylate, 2-Furancarboxylic acid, 5-methyl-, methyl ester, 5-Methylfuran-2-carboxylic acid methyl ester, XBYZJUMTKHUJIY-UHFFFAOYSA-N, MFCD04116374, zlchem 1125, ACMC-20akg0, AC1L3B0I, SCHEMBL423503, CTK4F5365, KS-00000LRX, DTXSID40179921, ZLD0593, methyl 5-methyl-2-furancarboxylate, Methyl 5-methyl-2-furoate, 97%, ALBB-026666, ZINC2528629, GEO-01875, AKOS000295902, CS-W005869, DS-4583, MCULE-9458192145, VZ32677, AJ-38325, AK124407, DB-046658, ST2407286, TC-166167, 4CH-018807, FT-0628682, R8331, Z5493, 2-Furancarboxylic acid,5-methyl-, methyl ester, W-200258, I14-102417, C7H8O3, METHYL5-METHYL-2-FUROATE, Methyl5-methylfuran-2-carboxylate, CID137628, ZINC02528629,

Complexity	133
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.047g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	140.138g/mol
Monoisotopic Mass	140.047g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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