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850349-60-9 | Carbamic acid,[3-oxo-3-[[(tetrahydro-2H-pyran-2-yl)oxy]amino]propyl]-, 9H-fluoren-9-ylmethylester (9CI)
CAS No: 850349-60-9 Catalog No: AG004ZV9 MDL No:
Product Description
Catalog Number:
AG004ZV9
Chemical Name:
Carbamic acid,[3-oxo-3-[[(tetrahydro-2H-pyran-2-yl)oxy]amino]propyl]-, 9H-fluoren-9-ylmethylester (9CI)
CAS Number:
850349-60-9
Molecular Formula:
C23H26N2O5
Molecular Weight:
410.4629
IUPAC Name:
9H-fluoren-9-ylmethyl 2-amino-4-(oxan-2-yloxyamino)-4-oxobutanoate
InChI:
InChI=1S/C23H26N2O5/c24-20(13-21(26)25-30-22-11-5-6-12-28-22)23(27)29-14-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,19-20,22H,5-6,11-14,24H2,(H,25,26)
InChI Key:
SBLMKIJYZZPZJY-UHFFFAOYSA-N
SMILES:
O=C(CC(C(=O)OCC1c2ccccc2c2c1cccc2)N)NOC1CCCCO1
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.184g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
410.47g/mol
Monoisotopic Mass:
410.184g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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