AG003765

48059-97-8 | 4-Octenedioic acid,(4E)-

AG003765

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CAS Number	48059-97-8
Catalog Number	AG003765(AGN-PC-0OASNO)
Chemical Name	4-Octenedioic acid,(4E)-
EC Number	238-171-0
IUPAC Name	(E)-oct-4-enedioic acid
InChI	InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-2H,3-6H2,(H,9,10)(H,11,12)/b2-1+
InChI Key	LQVYKEXVMZXOAH-OWOJBTEDSA-N
MDL Number	MFCD09750674
Molecular Formula	C8H12O4
Molecular Weight	172.1785
SMILES	OC(=O)CC/C=C/CCC(=O)O
Synonyms	48059-97-8, 4-octenedioic acid, (E)-OCT-4-ENE-1,8-DIOIC ACID, (E)-4-Octenedioic acid, (E)-oct-4-enedioic acid, W-202843, 14277-16-8, E-Oct-4-ene-1,8-dioic acid, (Z)-4-Octene-1,8-dioic acid, 4-octene-1,8-dioic acid, AC1Q5VV9, SCHEMBL176452, Eooct-4-ene-1,8-dioic acid, 38561-68-1, ZINC5178463, MFCD09750674, AKOS006328791, ACM48059978, e-oct-4-ene-1,8-dioic acid, AldrichCPR, 059E978, Oct-4-enedioic acid, 4-Octenedioic acid,(4E)-, -Oct-4-ene-1,8-dioicacid, EINECS 238-171-0, AR-1G4181, C8-H12-O4, 14447-05-3,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	172.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	172.18g/mol
Monoisotopic Mass	172.074g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319-H412
Packing Group
Precautionary statements	P273-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number