AG001N44

Name: 2-(Ethoxycarbonyl)-3-methylbutanoic acid
Brand: Angene Chemical
SKU: AG001N44

15112-52-4 | 2-(Ethoxycarbonyl)-3-methylbutanoic acid

AG001N44

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CAS Number	15112-52-4
Catalog Number	AG001N44(AGN-PC-0O48WT)
Chemical Name	2-(Ethoxycarbonyl)-3-methylbutanoic acid
IUPAC Name	2-ethoxycarbonyl-3-methylbutanoic acid
InChI	InChI=1S/C8H14O4/c1-4-12-8(11)6(5(2)3)7(9)10/h5-6H,4H2,1-3H3,(H,9,10)
InChI Key	HIAMVOUYSXARIQ-UHFFFAOYSA-N
MDL Number	MFCD20638279
Molecular Formula	C8H14O4
Molecular Weight	174.1944
NSC Number	157563
SMILES	O=C(OCC)C(C(C)C)C(O)=O
Synonyms	15112-52-4, 2-Isopropyl-malonic acid monoethyl ester, Propanedioic acid, 2-(1-methylethyl)-, 1-ethyl ester, NSC157563, 2-ethoxycarbonyl-3-methylbutanoic acid, 2-(ethoxycarbonyl)-3-methylbutanoic acid, AC1Q5ROU, AC1L6H07, SCHEMBL1562034, CTK4C6896, DTXSID30303258, HIAMVOUYSXARIQ-UHFFFAOYSA-N, NSC-157563, Propanedioic acid,2-(1-methylethyl)-, 1-ethyl ester, AR-1C9221, CID291973, 15145-46-7,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.089g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	174.196g/mol
Monoisotopic Mass	174.089g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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