AG003M7X

84966-28-9 | 5-PYRROLIDIN-1-YL-2-FURALDEHYDE

AG003M7X

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CAS Number	84966-28-9
Catalog Number	AG003M7X(AGN-PC-0JW9IU)
Chemical Name	5-PYRROLIDIN-1-YL-2-FURALDEHYDE
IUPAC Name	5-pyrrolidin-1-ylfuran-2-carbaldehyde
InChI	InChI=1S/C9H11NO2/c11-7-8-3-4-9(12-8)10-5-1-2-6-10/h3-4,7H,1-2,5-6H2
InChI Key	TZLGFEAULCWLDT-UHFFFAOYSA-N
MDL Number	MFCD02629619
Molecular Formula	C9H11NO2
Molecular Weight	165.1891
SMILES	O=CC1=CC=C(N2CCCC2)O1
Synonyms	5-(pyrrolidin-1-yl)furan-2-carbaldehyde, 84966-28-9, 5-pyrrolidin-1-yl-2-furaldehyde, 5-(1-Pyrrolidino)-2-furaldehyde, 5-Pyrrolidin-1-yl-furan-2-carbaldehyde, 5-pyrrolidin-1-ylfuran-2-carbaldehyde, 5-(1-pyrrolidinyl)-2-furancarboxaldehyde, MFCD02629619, 5-(1-PYRROLIDINYL)-2-FURALDEHYDE, 5-pyrrolidinylfuran-2-carbaldehyde, 5-(pyrrolidin-1-yl)-2-furaldehyde, BAS 12793575, AC1Q6PTY, AC1Q6QFF, ACMC-20a6x5, AC1LFE13, Oprea1_103594, Oprea1_569028, MLS000688744, CHEMBL1425127, CTK5F3616, KS-00001AIV, DTXSID80355444, HMS2587I19, SP603, ZINC308763, 3109AC, ANW-59895, BBL029715, SBB010455, STK362696, AKOS000113564, MCULE-2129589494, RP22809, AJ-19137, AN-35819, BP-10572, SMR000284639, ST076729, DB-076181, TR-026347, CS-0037282, FT-0677222, 5-Pyrrolidin-1-yl-2-furaldehyde, AldrichCPR, W-9547, 5-pyrrolidin-1-yl-2-furaldehyde(saltdata: free), 966P289, A841028, J-516402, I14-30145, C9H11NO2, AR-1G5712, CID801481, 86470-95-3,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	165.192g/mol
Monoisotopic Mass	165.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	33.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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