AG00G0DR

68690-19-7 | (-)-Trichostatic acid

AG00G0DR

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CAS Number	68690-19-7
Catalog Number	AG00G0DR(AGN-PC-0TTHSQ)
Chemical Name	(-)-Trichostatic acid
IUPAC Name	(2E,4E,6S)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid
InChI	InChI=1S/C17H21NO3/c1-12(5-10-16(19)20)11-13(2)17(21)14-6-8-15(9-7-14)18(3)4/h5-11,13H,1-4H3,(H,19,20)/b10-5+,12-11+/t13-/m0/s1
InChI Key	VKEITMNFEJHFCX-LEJRBOCMSA-N
MDL Number	MFCD31618158
Molecular Formula	C17H21NO3
Molecular Weight	287.3535
SMILES	C[C@@H](C=C(/C)C=CC(O)=O)C(=O)C1=CC=C(C=C1)N(C)C
Synonyms	trichostatic acid, trichostatic acid, (+)-isomer, (S)-trichostatic acid, (-)-Trichostatsaeure, (-)-trichostatic acid, 68690-19-7, Trichostatic acid, (2E,4E,6S)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid, SCHEMBL13859924, CHEBI:39159, (S,2E,4E)-7-[4-(Dimethylamino)phenyl]-4,6-dimethyl-7-oxo-2,4-heptadienoic Acid, -Trichostaticacid, T3402,

Complexity	429
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	2
Exact Mass	287.152g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	287.359g/mol
Monoisotopic Mass	287.152g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number