AG00364X

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CAS Number	14272-47-0
Catalog Number	AG00364X(AGN-PC-00FS5U)
Chemical Name	3-Ethylheptanoic acid
IUPAC Name	3-ethylheptanoic acid
InChI	InChI=1S/C9H18O2/c1-3-5-6-8(4-2)7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChI Key	MCLMZMISZCYBBG-UHFFFAOYSA-N
MDL Number	MFCD00060838
Molecular Formula	C9H18O2
Molecular Weight	158.2380
SMILES	C(C)C(CC(=O)O)CCCC
Synonyms	3-Ethylheptanoic acid, 14272-47-0, 3-ETHYLHEPTANOICACID, MCLMZMISZCYBBG-UHFFFAOYSA-N, 2-ethylhexylcarboxylic acid, 3-ethyl-heptanoic acid, Heptanoic acid,3-ethyl-, Heptanoic acid, 3-ethyl-, AC1L3FG1, SCHEMBL140442, 2-ethyl hexane carboxylic acid, CTK4C3255, KS-000000DM, MFCD00060838, AKOS008148140, MCULE-3612456700, NE11115, FT-0720489, EN300-79905, 97810-EP2305685A1, 97810-EP2305686A1, A1-08458, F8881-7425, Z1259339755, Heptanoicacid,3-ethyl-, CID139715,

Complexity	110
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.131g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.241g/mol
Monoisotopic Mass	158.131g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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