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Home > Fluorides > 144120-53-6
144120-53-6 | L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1-(2-propen-1-yl) ester
CAS No: 144120-53-6 Catalog No: AG001IZJ MDL No:MFCD00467715
Product Description
Catalog Number:
AG001IZJ
Chemical Name:
L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1-(2-propen-1-yl) ester
CAS Number:
144120-53-6
Molecular Formula:
C22H20NO6-
Molecular Weight:
394.3973
MDL Number:
MFCD00467715
IUPAC Name:
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-prop-2-enoxybutanoic acid
InChI:
InChI=1S/C22H21NO6/c1-2-11-28-21(26)19(12-20(24)25)23-22(27)29-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18-19H,1,11-13H2,(H,23,27)(H,24,25)/t19-/m0/s1
InChI Key:
ZJMVIWUCCRKNHY-IBGZPJMESA-N
SMILES:
C=CCOC(=O)[C@@H](NC(=O)OCC1c2ccccc2c2c1cccc2)CC(=O)[O-]
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
395.137g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
395.411g/mol
Monoisotopic Mass:
395.137g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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