AG003FS0

27899-21-4 | 2,4-Diethylglutaric Acid

AG003FS0

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CAS Number	27899-21-4
Catalog Number	AG003FS0(AGN-PC-00C4PD)
Chemical Name	2,4-Diethylglutaric Acid
IUPAC Name	2,4-diethylpentanedioic acid
InChI	InChI=1S/C9H16O4/c1-3-6(8(10)11)5-7(4-2)9(12)13/h6-7H,3-5H2,1-2H3,(H,10,11)(H,12,13)
InChI Key	CEAKZVDHZILFGK-UHFFFAOYSA-N
MDL Number	MFCD04117827
Molecular Formula	C9H16O4
Molecular Weight	188.2209
SMILES	O=C(O)C(CC)CC(CC)C(O)=O
Synonyms	2,4-Diethylglutaric Acid, 27899-21-4, 2,4-diethylpentanedioic Acid, 2,4-Diethylglutaric acid (DL- and meso- mixture), ACMC-20aod7, 2,4-Diethyl glutaric acid, SCHEMBL751062, Pentanedioic acid,2,4-diethyl-, CTK4G0404, DTXSID40468983, CEAKZVDHZILFGK-UHFFFAOYSA-N, MFCD04117827, ACM27899214, TC-171250, D3234, FT-0691421, I14-56347, CID11586419,

Complexity	168
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.105g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	188.223g/mol
Monoisotopic Mass	188.105g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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