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1217669-02-7 | 5-Hexynoic acid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (3S)-
CAS No: 1217669-02-7 Catalog No: AG0015VG MDL No:MFCD01861008
Product Description
Catalog Number:
AG0015VG
Chemical Name:
5-Hexynoic acid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (3S)-
CAS Number:
1217669-02-7
Molecular Formula:
C21H19NO4
Molecular Weight:
349.3799
MDL Number:
MFCD01861008
IUPAC Name:
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)hex-5-ynoic acid
InChI:
InChI=1S/C21H19NO4/c1-2-7-14(12-20(23)24)22-21(25)26-13-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h1,3-6,8-11,14,19H,7,12-13H2,(H,22,25)(H,23,24)/t14-/m0/s1
InChI Key:
ALHPEVGGGAQSCG-AWEZNQCLSA-N
SMILES:
C#CC[C@H](NC(=O)OCC1c2ccccc2c2c1cccc2)CC(=O)O
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
349.131g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.386g/mol
Monoisotopic Mass:
349.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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