AG00344M

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CAS Number	688-04-0
Catalog Number	AG00344M(AGN-PC-0JY2BE)
Chemical Name	4-OXO-2-PROPYL-VALERIC ACID
IUPAC Name	4-oxo-2-propylpentanoic acid
InChI	InChI=1S/C8H14O3/c1-3-4-7(8(10)11)5-6(2)9/h7H,3-5H2,1-2H3,(H,10,11)
InChI Key	HJRMYVTYHORJKC-UHFFFAOYSA-N
MDL Number	MFCD00778675
Molecular Formula	C8H14O3
Molecular Weight	158.1950
SMILES	O=C(CC(C(=O)O)CCC)C
Synonyms	4-oxo-2-propylpentanoic acid, 4-oxo-2-propyl-valeric acid, 688-04-0, 4-Keto-VPA, Pentanoic acid, 4-oxo-2-propyl-, 4-Oxovalproic acid, 4-Ketovalproic acid, 2-n-Propyl-4-oxopentanoic acid, AC1MVENH, SCHEMBL5605600, CHEMBL3706508, CHEBI:80641, CTK1J1732, DTXSID50395655, BB_NC-00322, KS-000000DZ, BBL028989, MFCD00778675, STK801961, AKOS005622651, MCULE-7988753662, C16655, 4-oxo-2-propyl-pentanoic Acid, CID3731686,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.094g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.197g/mol
Monoisotopic Mass	158.094g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited