AG00DJWS

4440-68-0 | β-Dihydromuconic acid

AG00DJWS

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CAS Number	4440-68-0
Catalog Number	AG00DJWS(AGN-PC-0WNU5U)
Chemical Name	β-Dihydromuconic acid
IUPAC Name	(E)-hex-2-enedioic acid
InChI	InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,7,8)(H,9,10)/b3-1+
InChI Key	HSBSUGYTMJWPAX-HNQUOIGGSA-N
MDL Number	MFCD19228126
Molecular Formula	C6H8O4
Molecular Weight	144.1253
SMILES	O=C(O)/C=C/CCC(O)=O
Synonyms	hex-2-enedioic acid, (E)-hex-2-enedioic acid, 4440-68-0, trans-2-hexenedioic acid, trans-2,3-dehydroadipic acid, 2E-hexenedioic acid, trans-2,3-didehydroadipic acid, (2E)-hex-2-enedioic acid, hexenedioic acid, 2-Hexenedioic acid, (2E)-, 2583-24-6, (E)-hex-2-enedioate, beta-Dihydromuconic acid, (2E)-hex-2-enedioate, (2E)-2-Hexenedioic acid, SCHEMBL128035, CHEBI:36192, CHEBI:49296, LMFA01170070, MFCD19228126, ZINC59724760, AKOS006380129, NE51363, SC-66378, SC-88863, 2-Hexenedioic acid, CID10877230,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	144.042g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	144.126g/mol
Monoisotopic Mass	144.042g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number