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Home > Fluorides > 139551-83-0
139551-83-0 | Carbamic acid, N-[(1S)-1-(hydroxymethyl)-3-methylbutyl]-, 9H-fluoren-9-ylmethyl ester
CAS No: 139551-83-0 Catalog No: AG001B9Q MDL No:MFCD00235932
Product Description
Catalog Number:
AG001B9Q
Chemical Name:
Carbamic acid, N-[(1S)-1-(hydroxymethyl)-3-methylbutyl]-, 9H-fluoren-9-ylmethyl ester
CAS Number:
139551-83-0
Molecular Formula:
C21H25NO3
Molecular Weight:
339.4281
MDL Number:
MFCD00235932
IUPAC Name:
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate
InChI:
InChI=1S/C21H25NO3/c1-14(2)11-15(12-23)22-21(24)25-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,14-15,20,23H,11-13H2,1-2H3,(H,22,24)/t15-/m0/s1
InChI Key:
WXMGVJAOLIDKGZ-HNNXBMFYSA-N
SMILES:
OC[C@@H](NC(=O)OCC1c2ccccc2c2c1cccc2)CC(C)C
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
339.183g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
339.435g/mol
Monoisotopic Mass:
339.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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