AG00C06A

Name: 2-ethylheptanoic acid
Brand: Angene Chemical
SKU: AG00C06A

3274-29-1 | 2-ethylheptanoic acid

AG00C06A

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CAS Number	3274-29-1
Catalog Number	AG00C06A(AGN-PC-0WBS8B)
Chemical Name	2-ethylheptanoic acid
EC Number	221-902-2
IUPAC Name	2-ethylheptanoic acid
InChI	InChI=1S/C9H18O2/c1-3-5-6-7-8(4-2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChI Key	DYWSVUBJGFTOQC-UHFFFAOYSA-N
MDL Number	MFCD02258626
Molecular Formula	C9H18O2
Molecular Weight	158.2380
SMILES	CCCCCC(CC)C(=O)O
Synonyms	2-ETHYLHEPTANOIC ACID, 3274-29-1, Heptanoic acid, 2-ethyl-, xi-2-Ethylheptanoic acid, DYWSVUBJGFTOQC-UHFFFAOYSA-N, EINECS 221-902-2, 3-Octanecarboxylic acid, octane-3-carboxylic acid, AC1L2CI6, SCHEMBL29946, STL280352, AKOS010363958, MCULE-3515775261, NE18346, Z1592032450, 2-ETHYLHEPTANOICACID, CID18648, C9-H18-O2,

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

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