AG0034M3

1119-72-8 | (2Z,4Z)-2,4-Hexadienedioicacid

AG0034M3

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CAS Number	1119-72-8
Catalog Number	AG0034M3(AGN-PC-0NXSN0)
Chemical Name	(2Z,4Z)-2,4-Hexadienedioicacid
IUPAC Name	(2Z,4Z)-hexa-2,4-dienedioic acid
InChI	InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2-
InChI Key	TXXHDPDFNKHHGW-CCAGOZQPSA-N
MDL Number	MFCD00085266
Molecular Formula	C6H6O4
Molecular Weight	142.1094
SMILES	O=C(O)/C=CC=C/C(O)=O
UNII	2G78TUQ51G
Synonyms	cis,cis-muconate, muconic acid, muconic acid, (E,E)-isomer, trans,trans-muconic acid, trans-beta-hydromuconic acid, cis,cis-Muconic acid, (2Z,4Z)-hexa-2,4-dienedioic acid, 1119-72-8, cis,cis-muconate, UNII-2G78TUQ51G, cis,cis-2,4-Hexadienedioic acid, 2,4-Hexadienedioic acid, (Z,Z)-, 2Z,4Z-hexadienedioic acid, cis,cis-hexadienedioate, 2G78TUQ51G, (Z,Z)-2,4-hexadienedioic acid, TXXHDPDFNKHHGW-CCAGOZQPSA-N, CIS CIS-MUCONIC ACID, cis,cis-Muconic acid, 98%, (2Z,4Z)-2,4-Hexadienedioicacid, NSC 227902, 2,4-Hexadienedioic acid, (E,E)-muconate, 2,4-Hexadienedioicacid, (2Z,4Z)-, AK141826, CCU, trans-trans-Muconate, 2,4-Hexadienedioate, Hexa-2,4-dienedioate, Muconic acid, (Z,Z)-, Cis,cis-hexadienedioic acid, AC1NQX57, SCHEMBL2727, cis,cis-2,4-Hexadienedioate, (Z,Z)-2,4-hexadienedioate, (E,E)-2,4-Hexadienedioate, CHEBI:16508, (2E,4E)-2,4-Hexadienedioate, 1,3-Butadiene-1,4-dicarboxylate, 2,4-Hexadienedioicacid,(2Z,4Z)-, LMFA01170077, MFCD00085266, ZINC12405128, AKOS006222802, (2Z,4Z)-2,4-Hexadienedioic acid #, CS-W000800, DS-7334, FCH4121187, AJ-62174, DA-47820, AX8281961, cis,cis-Muconic acid, >=97.0% (HPLC), ST24034197, X6962, C02480, J-002678, MUCONIC ACID, (E,E)-Muconic acid, trans-trans-muconic acid, trans,trans-Muconic acid, Hexa-2,4-dienedioic acid, C6H6O4, (E,E)-2,4-hexadienedioic acid, C6-H6-O4, (2E,4E)-2,4-Hexadienedioic acid, 1,3-Butadiene-1,4-dicarboxylic acid, CID5280518, 505-70-4,

Complexity	168
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Exact Mass	142.027g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	142.11g/mol
Monoisotopic Mass	142.027g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number