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139338-72-0

139338-72-0 | 5,8,11-Trioxa-2-azatridecanedioic acid, 1-(9H-fluoren-9-ylmethyl) ester

CAS No: 139338-72-0 Catalog No: AG0039BC MDL No:MFCD13182400

Product Description

Catalog Number:
AG0039BC
Chemical Name:
5,8,11-Trioxa-2-azatridecanedioic acid, 1-(9H-fluoren-9-ylmethyl) ester
CAS Number:
139338-72-0
Molecular Formula:
C23H26NO7-
Molecular Weight:
428.4550
MDL Number:
MFCD13182400
IUPAC Name:
2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]acetic acid
InChI:
InChI=1S/C23H27NO7/c25-22(26)16-30-14-13-29-12-11-28-10-9-24-23(27)31-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,21H,9-16H2,(H,24,27)(H,25,26)
InChI Key:
XNOJSAOJCBOZTA-UHFFFAOYSA-N
SMILES:
[O-]C(=O)COCCOCCOCCNC(=O)OCC1c2ccccc2c2c1cccc2

Properties

Complexity:
536  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.179g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
429.469g/mol
Monoisotopic Mass:
429.179g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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