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1262886-64-5 | 9-Decenoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2S)-
CAS No: 1262886-64-5 Catalog No: AG000SHI MDL No:MFCD17215633
Product Description
Catalog Number:
AG000SHI
Chemical Name:
9-Decenoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2S)-
CAS Number:
1262886-64-5
Molecular Formula:
C25H29NO4
Molecular Weight:
407.5021
MDL Number:
MFCD17215633
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)dec-9-enoic acid
InChI:
InChI=1S/C25H29NO4/c1-2-3-4-5-6-7-16-23(24(27)28)26-25(29)30-17-22-20-14-10-8-12-18(20)19-13-9-11-15-21(19)22/h2,8-15,22-23H,1,3-7,16-17H2,(H,26,29)(H,27,28)/t23-/m0/s1
InChI Key:
KXYYRDGOGQGGED-QHCPKHFHSA-N
SMILES:
C=CCCCCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
407.21g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
407.51g/mol
Monoisotopic Mass:
407.21g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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