AG003KIB

52480-43-0 | 4,5-Dimethylfuran-2-carbaldehyde

AG003KIB

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CAS Number	52480-43-0
Catalog Number	AG003KIB(AGN-PC-0JU8K0)
Chemical Name	4,5-Dimethylfuran-2-carbaldehyde
IUPAC Name	4,5-dimethylfuran-2-carbaldehyde
InChI	InChI=1S/C7H8O2/c1-5-3-7(4-8)9-6(5)2/h3-4H,1-2H3
InChI Key	JPTPEPVCVXGNJM-UHFFFAOYSA-N
MDL Number	MFCD00085030
Molecular Formula	C7H8O2
Molecular Weight	124.1372
SMILES	O=CC1=CC(C)=C(C)O1
Synonyms	4,5-dimethyl-2-furaldehyde, 4,5-Dimethylfurfural, 52480-43-0, 4,5-dimethylfuran-2-carbaldehyde, JPTPEPVCVXGNJM-UHFFFAOYSA-N, 4,5-dimethyl-furan-2-carbaldehyde, 2-furancarboxaldehyde, 4,5-dimethyl-, AC1Q2DYO, 2-Furanmethanethiolformate, AC1LD75S, ACMC-1AO31, 4.5-Dimethyl-2-furaldehyde, SCHEMBL752776, CTK4J5977, DTXSID70349175, 4,5-dimethyl-2-furancarbaldehyde, ZINC153224, 4,5-dimethyl-2-furancarboxaldehyde, KS-000014GL, 2-Furancarboxaldehyde,4,5-dimethyl-, 4,5-Dimethyl-2-furaldehyde, 97%, ANW-31472, GEO-01189, MFCD00085030, AKOS005167014, RP00728, AS-48300, ZB005362, TC-120217, D2639, FT-0617197, Y9335, J-640031, J-800033, W-200408, I14-21965, I14-23373, InChI=1/C7H8O2/c1-5-3-7(4-8)9-6(5)2/h3-4H,1-2H, C7H8O2, CID643406, ZINC00153224, 4,5-Dimethyl-2-furancarboxaldehyde, 99% - 1G 1g,

Complexity	112
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	124.052g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	124.139g/mol
Monoisotopic Mass	124.052g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H227-H302
Precuationary statements	P501-P210-P280-P370+P378-P403+P235
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Certificate of Analysis

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