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126631-93-4 | Octanoic acid, 8-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-
CAS No: 126631-93-4 Catalog No: AG000T12 MDL No:MFCD00235890
Product Description
Catalog Number:
AG000T12
Chemical Name:
Octanoic acid, 8-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-
CAS Number:
126631-93-4
Molecular Formula:
C23H27NO4
Molecular Weight:
381.4648
MDL Number:
MFCD00235890
IUPAC Name:
8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid
InChI:
InChI=1S/C23H27NO4/c25-22(26)14-4-2-1-3-9-15-24-23(27)28-16-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21/h5-8,10-13,21H,1-4,9,14-16H2,(H,24,27)(H,25,26)
InChI Key:
QZQXRZXYWVQWAY-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCNC(=O)OCC1c2ccccc2c2c1cccc2
UNII:
WQ3PS53E2U
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.194g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
381.472g/mol
Monoisotopic Mass:
381.194g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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