AG00322S

Name: 2-Ethyl-2-methylheptanoic acid
Brand: Angene Chemical
SKU: AG00322S

31080-38-3 | 2-Ethyl-2-methylheptanoic acid

AG00322S

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CAS Number	31080-38-3
Catalog Number	AG00322S(AGN-PC-002LML)
Chemical Name	2-Ethyl-2-methylheptanoic acid
IUPAC Name	2-ethyl-2-methylheptanoic acid
InChI	InChI=1S/C10H20O2/c1-4-6-7-8-10(3,5-2)9(11)12/h4-8H2,1-3H3,(H,11,12)
InChI Key	KTCIQOVSDDBEIG-UHFFFAOYSA-N
MDL Number	MFCD02258634
Molecular Formula	C10H20O2
Molecular Weight	172.2646
SMILES	CCCCCC(C(O)=O)(CC)C
Synonyms	2-ETHYL-2-METHYLHEPTANOIC ACID, 31080-38-3, Heptanoic acid, 2-ethyl-2-methyl-, SCHEMBL1397979, CTK4G6360, DTXSID70564200, Heptanoic acid,2-ethyl-2-methyl-, 2-methyl 2-ethyl 1-heptanoic acid, AKOS012033549, MCULE-5909088545, NE25337, FT-0749244, Z1753032274, tert-DECANOIC ACID, 52627-73-3,

Complexity	143
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.146g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.268g/mol
Monoisotopic Mass	172.146g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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