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208259-66-9 | 2-Thiopheneacetic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αR)-
CAS No: 208259-66-9 Catalog No: AG002JLE MDL No:MFCD02094452
Product Description
Catalog Number:
AG002JLE
Chemical Name:
2-Thiopheneacetic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αR)-
CAS Number:
208259-66-9
Molecular Formula:
C21H17NO4S
Molecular Weight:
379.4290
MDL Number:
MFCD02094452
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-thiophen-2-ylacetic acid
InChI:
InChI=1S/C21H17NO4S/c23-20(24)19(18-10-5-11-27-18)22-21(25)26-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-11,17,19H,12H2,(H,22,25)(H,23,24)/t19-/m0/s1
InChI Key:
DOQXSEXNUPRHPV-IBGZPJMESA-N
SMILES:
O=C(N[C@@H](c1cccs1)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
379.088g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
379.43g/mol
Monoisotopic Mass:
379.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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