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161321-36-4 | Cyclohexaneacetic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-
CAS No: 161321-36-4 Catalog No: AG001SCC MDL No:MFCD00190878
Product Description
Catalog Number:
AG001SCC
Chemical Name:
Cyclohexaneacetic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-
CAS Number:
161321-36-4
Molecular Formula:
C23H25NO4
Molecular Weight:
379.4489
MDL Number:
MFCD00190878
IUPAC Name:
(2S)-2-cyclohexyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
InChI:
InChI=1S/C23H25NO4/c25-22(26)21(15-8-2-1-3-9-15)24-23(27)28-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h4-7,10-13,15,20-21H,1-3,8-9,14H2,(H,24,27)(H,25,26)/t21-/m0/s1
InChI Key:
BWQQGHPODCJZDB-NRFANRHFSA-N
SMILES:
O=C(N[C@@H](C1CCCCC1)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
379.178g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
379.456g/mol
Monoisotopic Mass:
379.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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