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159611-02-6 | 2-Furanpropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-
CAS No: 159611-02-6 Catalog No: AG001R8K MDL No:MFCD01311747
Product Description
Catalog Number:
AG001R8K
Chemical Name:
2-Furanpropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-
CAS Number:
159611-02-6
Molecular Formula:
C22H19NO5
Molecular Weight:
377.3900
MDL Number:
MFCD01311747
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(furan-2-yl)propanoic acid
InChI:
InChI=1S/C22H19NO5/c24-21(25)20(12-14-6-5-11-27-14)23-22(26)28-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-11,19-20H,12-13H2,(H,23,26)(H,24,25)/t20-/m0/s1
InChI Key:
AJXDCHXGNUFBRC-FQEVSTJZSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccco1)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
377.126g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
377.396g/mol
Monoisotopic Mass:
377.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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