AG00EAMI

593-39-5 | 6-Octadecenoic acid, (6Z)-

AG00EAMI

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CAS Number	593-39-5
Catalog Number	AG00EAMI(AGN-PC-0OCW7X)
Chemical Name	6-Octadecenoic acid, (6Z)-
EC Number	209-789-8
IUPAC Name	(Z)-octadec-6-enoic acid
InChI	InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-
InChI Key	CNVZJPUDSLNTQU-SEYXRHQNSA-N
MDL Number	MFCD00046561
Molecular Formula	C18H34O2
Molecular Weight	282.4614
SMILES	OC(CCCC/C=CCCCCCCCCCCC)=O
UNII	3A10DOC461
Synonyms	petroselenic acid, petroselinic acid, petroselinic acid, (E)-isomer, petroselinic acid, (Z)-isomer, petroselinic acid, sodium salt, (Z)-isomer, PETROSELINIC ACID, cis-6-Octadecenoic acid, 593-39-5, (Z)-Octadec-6-enoic acid, 6-Octadecenoic acid, (Z)-, Petroselinsaeure, (6Z)-Octadecenoic acid, Petroseleninsaeure, (6Z)-6-Octadecenoic acid, Octadec-6c-ensaere, UNII-3A10DOC461, 6-octadecylenic acid, cis-petroselinic acid, 6Z-octadecenoic acid, (6Z)-petroselinic acid, cis-octadec-6-enoic acid, (Z)-6-octadecenoic acid, (6Z)-octadec-6-enoic acid, cis-omega-12-octadecenoic acid, cis-Delta(6)-octadecenoic acid, CHEBI:28194, 5-heptadecylene-1-carboxylic acid, CNVZJPUDSLNTQU-SEYXRHQNSA-N, 3A10DOC461, MFCD00046561, C18:1n-12, Petroselic acid, EINECS 209-789-8, AI3-36446, AC1NQY2E, delta-5-octadecylenic acid, bmse000852, (6Z)octadec-6-enoic acid, cis- -6-Octadecenoic acid, SCHEMBL93332, Octadecenoic acid, 6-(Z)-, (6Z)-6-Octadecenoic acid #, CHEMBL3139878, ZINC8221028, Petroselinic acid, >=99%, powder, LMFA01030066, Petroselinic acid, analytical standard, AKOS024257458, DB-053370, HY-113362, CS-0062298, O0009, ST51037420, C08363, 0DA8F903-431D-46A3-A3AC-0E0BE12DC1EE, Petroselinic acid; Petroselic acid; 5-heptadecylene-1-carboxylic acid; delta-5-octadecylenic acid; cis-6-octadecenoic acid; C18:1n-12, petroselinicacid, Petroselenic acid, 6-Octadecenoic acid, (6Z)-, 6-?Octadecenoic acid, (6Z)?-, C18H34O2, C18-H34-O2, CID5281125, FA(18:1), 4712-34-9,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	282.256g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	282.468g/mol
Monoisotopic Mass	282.256g/mol
Rotatable Bond Count	15
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number