AG0026AH

Name: Benzoic acid, 3-ethynyl-, ethyl ester
Brand: Angene Chemical
SKU: AG0026AH

178742-95-5 | Benzoic acid, 3-ethynyl-, ethyl ester

AG0026AH

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CAS Number	178742-95-5
Catalog Number	AG0026AH(AGN-PC-00PLEF)
Chemical Name	Benzoic acid, 3-ethynyl-, ethyl ester
IUPAC Name	ethyl 3-ethynylbenzoate
InChI	InChI=1S/C11H10O2/c1-3-9-6-5-7-10(8-9)11(12)13-4-2/h1,5-8H,4H2,2H3
InChI Key	DIZFWJVCPSJKGW-UHFFFAOYSA-N
MDL Number	MFCD13195274
Molecular Formula	C11H10O2
Molecular Weight	174.1959
SMILES	O=C(OCC)C1=CC=CC(C#C)=C1
Synonyms	Ethyl 3-ethynylbenzoate, 178742-95-5, 3-Ethynylbenzoic acid ethyl ester, 3-Ethynyl-benzoic Acid Ethyl Ester, Benzoic acid, 3-ethynyl-, ethyl ester, SCHEMBL1505304, CTK6F6653, DTXSID40573864, DIZFWJVCPSJKGW-UHFFFAOYSA-N, MFCD13195274, ZINC34579748, AKOS015951034, FCH1167731, 3-ETHYNYL BENZOIC ACID ETHYL ESTER, AB1007696, AX8263899, X5176, null, C11H10O2,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.068g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	174.199g/mol
Monoisotopic Mass	174.068g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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