AG008TOC

Name: An-3199
Brand: Angene Chemical
SKU: AG008TOC

1187187-10-5 | An-3199

AG008TOC

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CAS Number	1187187-10-5
Catalog Number	AG008TOC
Chemical Name	An-3199
IUPAC Name	butyl 6-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridine-3-carboxylate
InChI	InChI=1S/C17H18BNO5/c1-2-3-8-22-17(20)12-4-7-16(19-10-12)24-14-5-6-15-13(9-14)11-23-18(15)21/h4-7,9-10,21H,2-3,8,11H2,1H3
InChI Key	BJXLLSAUQIAPDB-UHFFFAOYSA-N
MDL Number	MFCD29924720
Molecular Formula	C17H18BNO5
Molecular Weight	327.1395
SMILES	C1=NC(OC2=CC=C3B(O)OCC3=C2)=CC=C1C(OCCCC)=O
Synonyms	AN3199, 1187187-10-5, AN-3199, SCHEMBL7863804, CHEMBL1090022, AKOS030526300, ZINC195367334, CS-5440, HY-19830, BJXLLSAUQIAPDB-UHFFFAOYSA-N,

Complexity	424
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	327.128g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	327.143g/mol
Monoisotopic Mass	327.128g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	77.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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