AG002F5B

191282-48-1 | 3-Furancarboxylic acid, tetrahydro-4-methylene-2-octyl-5-oxo-, (2R,3S)-rel-

AG002F5B

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CAS Number	191282-48-1
Catalog Number	AG002F5B(AGN-PC-0QKCP3)
Chemical Name	3-Furancarboxylic acid, tetrahydro-4-methylene-2-octyl-5-oxo-, (2R,3S)-rel-
IUPAC Name	(2R,3S)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid
InChI	InChI=1S/C14H22O4/c1-3-4-5-6-7-8-9-11-12(13(15)16)10(2)14(17)18-11/h11-12H,2-9H2,1H3,(H,15,16)/t11-,12+/m1/s1
InChI Key	VCWLZDVWHQVAJU-NEPJUHHUSA-N
MDL Number	MFCD03265452
Molecular Formula	C14H22O4
Molecular Weight	254.3221
SMILES	[C@@H]1(OC(=O)C(=C)[C@@H]1C(=O)O)CCCCCCCC
Synonyms	4-methylene-2-octyl-5-oxofuran-3-carboxylic acid, C75 cpd, trans-4-carboxy-5-octyl-3-methylenebutyrolactone, C75 (trans), 191282-48-1, 3-Carboxy-4-octyl-2-methylenebutyrolactone, CHEMBL449993, trans-4-Carboxy-5-octyl-3-methylenebutyrolactone, Fatty Acid Synthase Inhibitor, C75, C 75, (+)-trans-C75, C75 (racemic), SCHEMBL3007085, CTK8E7727, HMS3649D16, BCP11074, ZINC2009913, BDBM50256128, HY-12364A, trans-Tetrahydro-3-methylene-2-oxo-5-n-octyl-4-furancarboxylic acid, AKOS015960616, CS-3561, VC30664, AC-11808, RT-011885, SR-01000946704, J-012362, SR-01000946704-1, UNII-8E9A8CTX2H component VCWLZDVWHQVAJU-NEPJUHHUSA-N, (2R,3S)-4-methylene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid, (trans)-4-methylene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid, 2alpha-Octyl-4-methylene-5-oxotetrahydrofuran-3beta-carboxylic acid, (2R,3S)-Tetrahydro-4-methylene-2-octyl-5-oxo-3-furancarboxylic acid, 3-Furancarboxylic acid, tetrahydro-4-methylene-2-octyl-5-oxo-, (2R,3S)-rel-, 3-Furancarboxylic acid,tetrahydro-4-methylene-2-octyl-5-oxo-, (2R,3S)-rel-, C75 trans, C75 cpd, D07MXA, nchembio.2007.54-comp3, VCWLZDVWHQVAJU-NEPJUHHUSA-N, CID9881506, C-75, A15331, C75, 4-methylene-2-octyl-5-oxofuran-3-carboxylic acid, C406734, 1234694-20-2,

Complexity	322
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	254.152g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	254.326g/mol
Monoisotopic Mass	254.152g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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