AG00DFHF

51544-64-0 | (2E,4E,6Z)-Methyl deca-2,4,6-trienoate

AG00DFHF

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CAS Number	51544-64-0
Catalog Number	AG00DFHF(AGN-PC-0OBIZ7)
Chemical Name	(2E,4E,6Z)-Methyl deca-2,4,6-trienoate
IUPAC Name	methyl (2E,4E,6Z)-deca-2,4,6-trienoate
InChI	InChI=1S/C11H16O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h5-10H,3-4H2,1-2H3/b6-5-,8-7+,10-9+
InChI Key	DLNQRJFVXCCDKL-WJTNUVGISA-N
MDL Number	MFCD18252310
Molecular Formula	C11H16O2
Molecular Weight	180.2435
SMILES	CCC/C=CC=CC=CC(OC)=O
Synonyms	(2E,4E,6Z)-Methyl deca-2,4,6-trienoate, 51544-64-0, METHYL (E,E,Z)-2,4,6-DECATRIENOATE, formyl 2E,4E,6Z-decatrienoate, Methyl decatrinate, WE(11:3), SCHEMBL8821261, Methyl 2E,4E,6Z-decatrienoate, CHEBI:137713, LMFA07010481, ZINC34618429, AKOS016007344, QC-9841, AJ-89805, DA-17545, AB0032927, AX8216964, X6365, WE(1:0/10:3(2E,4E,6Z)), (2E,4E,6Z)-2,4,6-Decatrienoic Acid Methyl Ester, C11H16O2, CID11052245, (2E,4E,6Z)-Methyldeca-2,4,6-trienoate, Methyl (2E,4Z,6Z)-deca-2,4,6-trienoate,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Exact Mass	180.115g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	180.247g/mol
Monoisotopic Mass	180.115g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

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