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130309-35-2 | 2-Thiophenepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-
CAS No: 130309-35-2 Catalog No: AG000U99 MDL No:MFCD00065676
Product Description
Catalog Number:
AG000U99
Chemical Name:
2-Thiophenepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-
CAS Number:
130309-35-2
Molecular Formula:
C22H19NO4S
Molecular Weight:
393.4556
MDL Number:
MFCD00065676
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-2-ylpropanoic acid
InChI:
InChI=1S/C22H19NO4S/c24-21(25)20(12-14-6-5-11-28-14)23-22(26)27-13-19-17-9-3-1-7-15(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:
PXBMQFMUHRNKTG-FQEVSTJZSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1cccs1)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
393.103g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
393.457g/mol
Monoisotopic Mass:
393.103g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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