AG003KJV

51568-18-4 | 4,6-Dioxoheptanoic acid

AG003KJV

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CAS Number	51568-18-4
Catalog Number	AG003KJV(AGN-PC-07Y4W8)
Chemical Name	4,6-Dioxoheptanoic acid
IUPAC Name	4,6-dioxoheptanoic acid
InChI	InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)
InChI Key	WYEPBHZLDUPIOD-UHFFFAOYSA-N
MDL Number	MFCD00002797
Molecular Formula	C7H10O4
Molecular Weight	158.1519
NSC Number	174804
SMILES	CC(=O)CC(=O)CCC(O)=O
Synonyms	4,6-dioxoheptanoic acid, succinylacetone, 4,6-DIOXOHEPTANOIC ACID, Succinylacetone, 51568-18-4, succinyl acetone, Heptanoic acid, 4,6-dioxo-, NSC 174804, CCRIS 1387, CHEMBL222824, CHEBI:87897, WYEPBHZLDUPIOD-UHFFFAOYSA-N, MFCD00002797, 4.6-dioxoheptanoic acid, 4,6-Dioxoheptanoate, 4,6-dioxoheptans, Spectrum_001999, SpecPlus_000704, AC1Q5GTV, Heptanoic acid,6-dioxo-, Spectrum2_000467, Spectrum3_000763, Spectrum4_001249, Spectrum4_001266, AC1L1K2N, BSPBio_002406, KBioGR_001778, KBioGR_001852, KBioSS_002574, DivK1c_006800, SCHEMBL503918, SPBio_000574, CTK8B9814, KBio1_001744, KBio2_002565, KBio2_005133, KBio2_007701, KBio3_001626, 4,6-Dioxoheptanoic acid, powder, DTXSID50199519, BCP17098, 7197AB, ANW-63187, BDBM50197063, CCG-39960, NSC174804, AKOS006282601, ZINC100036983, CS-W010900, HY-W010184, NSC-174804, TRA0044142, ACM51568184, NCGC00178670-01, AK-87990, AN-41256, CC-17414, DA-05297, NCI60_001428, AX8092906, LS-175284, TC-151932, FT-0674727, 33908-EP2275420A1, 33908-EP2284148A1, 33908-EP2289882A1, 33908-EP2289886A1, 33908-EP2295055A2, 33908-EP2295416A2, 33908-EP2298748A2, 33908-EP2298764A1, 33908-EP2298765A1, 33908-EP2305627A1, 33908-EP2305642A2, 33908-EP2305661A1, 33908-EP2308855A1, 33908-EP2311453A1, 33908-EP2371797A1, 33908-EP2371798A1, 33908-EP2371800A1, 33908-EP2371802A1, 33908-EP2371804A1, 568D184, C-33623, 4,6-Dioxoheptanoicacid, C7H10O4, 3,7-Dimethyloct-6-enenitrile, CID5312, 1,4,5,8-Tetrahydroxyanthraquinone, AR-1F8742, C7-H10-O4, UN2188, CS-T-42878, SA, C020804, 109-61-5, 52709-85-0, 881835-86-5,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.058g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.153g/mol
Monoisotopic Mass	158.058g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	71.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.8

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