AG00HWII

Name: DBCO-C6-Acid
Brand: Angene Chemical
SKU: AG00HWII

1425485-72-8 | DBCO-C6-Acid

AG00HWII

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COA

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CAS Number	1425485-72-8
Catalog Number	AG00HWII
Chemical Name	DBCO-C6-Acid
IUPAC Name	6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexanoic acid
InChI	InChI=1S/C21H19NO3/c23-20(11-5-6-12-21(24)25)22-15-18-9-2-1-7-16(18)13-14-17-8-3-4-10-19(17)22/h1-4,7-10H,5-6,11-12,15H2,(H,24,25)
InChI Key	NIRLBCOFKPVQLM-UHFFFAOYSA-N
MDL Number	MFCD22380737
Molecular Formula	C21H19NO3
Molecular Weight	333.3805
SMILES	OC(CCCCC(N2CC3=C(C=CC=C3)C#CC1=CC=CC=C12)=O)=O
Synonyms	Azadibenzocyclooctyne acid, DBCO-C6-acid, 1425485-72-8, SCHEMBL15230308, MFCD22380737, ZINC80053796, BP-22287, Dibenzocyclooctyne-acid, storage temp.: -20C, 95%, 6-(11,12-Didehydro-5,6-dihydrodibenzo[b,f]azocine-5-yl)-6-oxohexanoic acid,

Complexity	558
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	333.136g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	333.387g/mol
Monoisotopic Mass	333.136g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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