AG004U4U

Name: 3-(Prop-2-yn-1-yloxy)benzoic acid
Brand: Angene Chemical
SKU: AG004U4U

85607-73-4 | 3-(Prop-2-yn-1-yloxy)benzoic acid

AG004U4U

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COA

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CAS Number	85607-73-4
Catalog Number	AG004U4U(AGN-PC-00KZYF)
Chemical Name	3-(Prop-2-yn-1-yloxy)benzoic acid
IUPAC Name	3-prop-2-ynoxybenzoic acid
InChI	InChI=1S/C10H8O3/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h1,3-5,7H,6H2,(H,11,12)
InChI Key	HERILFFCDZRBMN-UHFFFAOYSA-N
MDL Number	MFCD09259068
Molecular Formula	C10H8O3
Molecular Weight	176.1687
SMILES	C(C#C)OC=1C=C(C(=O)O)C=CC1
Synonyms	85607-73-4, Benzoic acid, 3-(2-propynyloxy)-, 3-(prop-2-yn-1-yloxy)benzoic acid, m-propargyloxybenzoic acid, 3-(Propargyloxy)benzoic acid, 3-Prop-2-ynyloxybenzoic acid, SCHEMBL4398914, 3-(prop-2-ynyloxy)benzoic acid, CTK3C8537, DTXSID90519499, HERILFFCDZRBMN-UHFFFAOYSA-N, ZINC9237027, AKOS000195779, 3-[(Prop-2-yn-1-yl)oxy]benzoic acid, Benzoic acid, 3-(2-propyn-1-yloxy)-, FT-0746426, F2158-1675, 3-(2-propyn-1-yloxy)Benzoic acid,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.047g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	176.171g/mol
Monoisotopic Mass	176.047g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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