AG00346F

3128-07-2 | 5-Acetylvaleric acid

AG00346F

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CAS Number	3128-07-2
Catalog Number	AG00346F(AGN-PC-0JM38O)
Chemical Name	5-Acetylvaleric acid
EC Number	221-512-2
IUPAC Name	6-oxoheptanoic acid
InChI	InChI=1S/C7H12O3/c1-6(8)4-2-3-5-7(9)10/h2-5H2,1H3,(H,9,10)
InChI Key	IZOQMUVIDMLRDC-UHFFFAOYSA-N
MDL Number	MFCD00051479
Molecular Formula	C7H12O3
Molecular Weight	144.1684
NSC Number	167591
SMILES	O=C(O)CCCCC(=O)C
UNII	4U902I8QZO
Synonyms	5-Acetylvaleric Acid, 6-Oxoheptanoic acid, 3128-07-2, Heptanoic acid, 6-oxo-, 6-oxo-heptanoic acid, 6-ketoheptanoic acid, 5-aceto valeric acid, UNII-4U902I8QZO, 4U902I8QZO, IZOQMUVIDMLRDC-UHFFFAOYSA-N, MFCD00051479, AK-48369, 5-Acetylvaleric acid, 90+%, technical, 5-Acetylvalericacid, 6-Oxoenanthic acid, 5-Acetylpentanoic acid, 6-Oxoheptanoic acid #, 6-oxo-n-heptanoic acid, ACMC-1CMEM, AC1L40FT, AC1Q1K5V, AC1Q5H7C, KSC223S2R, SCHEMBL371528, CTK1C3928, KS-00000KXA, ACN-S002185, ZINC1664508, ZX-AT008035, EINECS 221-512-2, ANW-59114, EBD102256, FCH963924, LMFA01060015, NSC167591, OR5276, SBB068339, AKOS006223971, CS-W008210, NSC 167591, NSC-167591, TRA0020335, AJ-28966, CC-21051, DS-14640, SC-47718, 6-Oxoheptanoic acid, technical grade, 90%, AX8003872, DB-048001, RT-003690, ST2418599, FT-0634685, K-0036, C-02305, I14-6264, J-018358, Succinylacetone, 5-Ketohexanoic acid, 4,6-DIOXOHEPTANOIC ACID, FA(7:0(Ke)), 5-Acetylvaleric acid, 96% 10g, CID98810, AR-1H2503, MFCD00004412, 5-Acetylvaleric acid, 97% - 1G 1g, 3302-09-8, SHU,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	144.079g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	144.17g/mol
Monoisotopic Mass	144.079g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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