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850349-64-3 | Benzoic acid,3-[[5-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]pentyl]oxy]-
CAS No: 850349-64-3 Catalog No: AG004SVP MDL No:
Product Description
Catalog Number:
AG004SVP
Chemical Name:
Benzoic acid,3-[[5-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]pentyl]oxy]-
CAS Number:
850349-64-3
Molecular Formula:
C27H27NO5
Molecular Weight:
445.5070
IUPAC Name:
3-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentoxy]benzoic acid
InChI:
InChI=1S/C27H27NO5/c29-26(30)19-9-8-10-20(17-19)32-16-7-1-6-15-28-27(31)33-18-25-23-13-4-2-11-21(23)22-12-3-5-14-24(22)25/h2-5,8-14,17,25H,1,6-7,15-16,18H2,(H,28,31)(H,29,30)
InChI Key:
PMZNNFIWEGKMRO-UHFFFAOYSA-N
SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)NCCCCCOc1cccc(c1)C(=O)O
Properties
Complexity:
618
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.189g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
445.515g/mol
Monoisotopic Mass:
445.189g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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