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1-(9H-Fluoren-9-yl)-3，14-dioxo-2，7，10-trioxa-4，13-diazaheptadecan-17-oic acid - ≥95%, high purity , CAS No.613245-91-3

COA

Grade & Purity:

≥95%

Cas Number: 613245-91-3
Molecular Weight: 470.5
PubChem CID: 2756180

In stock

Item Number

D700194

Grouped product items
SKU	Size	Availability	Price
D700194-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$78.90
D700194-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$121.90
D700194-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$337.90
D700194-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,354.90
D700194-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,708.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Fluorenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Fluorenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Fluorenes
Alternative Parents	N-acyl amines Carbamate esters Secondary carboxylic acid amides Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Fluorene - Fatty amide - N-acyl-amine - Fatty acyl - Carbamic acid ester - Carboxamide group - Carbonic acid derivative - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	4-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid
INCHI	InChI=1S/C25H30N2O7/c28-23(9-10-24(29)30)26-11-13-32-15-16-33-14-12-27-25(31)34-17-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,22H,9-17H2,(H,26,28)(H,27,31)(H,29,30)
InChIKey	OVPIGBISTJOKKI-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCNC(=O)CCC(=O)O
Isomeric SMILES	C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCNC(=O)CCC(=O)O
Alternate CAS	613245-91-3
PubChem CID	2756180
Molecular Weight	470.5

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	470.500 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	15
Exact Mass	470.205 Da
Monoisotopic Mass	470.205 Da
Topological Polar Surface Area	123.000 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	637.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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