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Home > Fluorides > 872679-70-4
872679-70-4 | 2,7,10-Trioxa-4-azatridecan-13-oic acid, 1-(9H-fluoren-9-yl)-3-oxo-
CAS No: 872679-70-4 Catalog No: AG0036CB MDL No:MFCD08064306
Product Description
Catalog Number:
AG0036CB
Chemical Name:
2,7,10-Trioxa-4-azatridecan-13-oic acid, 1-(9H-fluoren-9-yl)-3-oxo-
CAS Number:
872679-70-4
Molecular Formula:
C22H25NO6
Molecular Weight:
399.4370
MDL Number:
MFCD08064306
IUPAC Name:
3-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]propanoic acid
InChI:
InChI=1S/C22H25NO6/c24-21(25)9-11-27-13-14-28-12-10-23-22(26)29-15-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,20H,9-15H2,(H,23,26)(H,24,25)
InChI Key:
QWHLFJJLRVOHTM-UHFFFAOYSA-N
SMILES:
OC(=O)CCOCCOCCNC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.168g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
399.443g/mol
Monoisotopic Mass:
399.168g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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