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1262802-58-3 | Butanoic acid, 4-cyano-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2R)-
CAS No: 1262802-58-3 Catalog No: AG000SGU MDL No:
Product Description
Catalog Number:
AG000SGU
Chemical Name:
Butanoic acid, 4-cyano-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2R)-
CAS Number:
1262802-58-3
Molecular Formula:
C20H18N2O4
Molecular Weight:
350.3679
IUPAC Name:
4-cyano-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
InChI:
InChI=1S/C20H18N2O4/c21-11-5-10-18(19(23)24)22-20(25)26-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10,12H2,(H,22,25)(H,23,24)
InChI Key:
IYSKJCGILKSAFL-UHFFFAOYSA-N
SMILES:
N#CCC[C@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.127g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.374g/mol
Monoisotopic Mass:
350.127g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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