AG008CFZ

Name: 3-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid
Brand: Angene Chemical
SKU: AG008CFZ

878742-28-0 | 3-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid

AG008CFZ

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CAS Number	878742-28-0
Catalog Number	AG008CFZ(AGN-PC-05BI54)
Chemical Name	3-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid
IUPAC Name	3-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid
InChI	InChI=1S/C12H12O3/c1-12(2,15)7-6-9-4-3-5-10(8-9)11(13)14/h3-5,8,15H,1-2H3,(H,13,14)
InChI Key	VKXLALQKRXWOJK-UHFFFAOYSA-N
MDL Number	MFCD09037914
Molecular Formula	C12H12O3
Molecular Weight	204.2219
SMILES	OC(=O)c1cccc(c1)C#CC(O)(C)C
Synonyms	3-(3-HYDROXY-3-METHYLBUT-1-YN-1-YL)BENZOIC ACID, 878742-28-0, 3-(3-Hydroxy-3-methyl-1-butyn-1-yl)benzoic acid, 3-(3-Hydroxy-3-methylbut-1-ynyl)benzoic acid, SCHEMBL3929847, CTK5F9086, DTXSID80650800, VKXLALQKRXWOJK-UHFFFAOYSA-N, ZX-CM002398, BBL025927, MFCD09037914, STL360816, ZINC19088315, AKOS006342689, MCULE-1196992121, VS-0346, AJ-70952, Y-4821, Benzoic acid, 3-(3-hydroxy-3-methyl-1-butynyl)-, 4003332-25G, 4003332-50G, F2167-6938, 3-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid, AldrichCPR, 3- benzoicacid,

Complexity	305
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.079g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	204.225g/mol
Monoisotopic Mass	204.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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