AG002WWW

Name: Jacaric acid
Brand: Angene Chemical
SKU: AG002WWW

28872-28-8 | Jacaric acid

AG002WWW

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CAS Number	28872-28-8
Catalog Number	AG002WWW(AGN-PC-0O8MCM)
Chemical Name	Jacaric acid
IUPAC Name	(8Z,10E,12Z)-octadeca-8,10,12-trienoic acid
InChI	InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-11H,2-5,12-17H2,1H3,(H,19,20)/b7-6-,9-8+,11-10-
InChI Key	DQGMPXYVZZCNDQ-KDQYYBQISA-N
MDL Number	MFCD05864027
Molecular Formula	C18H30O2
Molecular Weight	278.4296
SMILES	CCCCC/C=CC=CC=C/CCCCCCC(O)=O
Synonyms	jacaric acid, Jacaric acid, 8Z,10E,12Z-octadecatrienoic acid, 28872-28-8, AC1NR0VH, SCHEMBL3341880, LMFA01030143, ZINC33820306, ACM28872288, cis-8, trans-10, cis-12-octadecatrienoic acid, (8Z,10E,12Z)-octadeca-8,10,12-trienoic acid, 8(Z),10(E),12(Z)-Octadecatrienoic acid(jacaric), 8,10,12-Octadecatrienoic acid, (8Z,10E,12Z)-, Calendic acid, 8 ,10 ,12 -OCTADECATRIENOICACID, CID5282817, FA(18:3), C18:3n-6,8,10,

Complexity	301
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Exact Mass	278.225g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	278.436g/mol
Monoisotopic Mass	278.225g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.7

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited