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RARECHEM AL ME 1206

CAS No.:
1379869-74-5
Catalog Number:
AG01EKEB
Molecular Formula:
C23H23N3O4
Molecular Weight:
405.4464
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Product Description
Catalog Number:
AG01EKEB
Chemical Name:
RARECHEM AL ME 1206
CAS Number:
1379869-74-5
Molecular Formula:
C23H23N3O4
Molecular Weight:
405.4464
MDL Number:
MFCD09918991
IUPAC Name:
3-(1,3-dimethylpyrazol-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C23H23N3O4/c1-14-15(12-26(2)25-14)11-21(22(27)28)24-23(29)30-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,12,20-21H,11,13H2,1-2H3,(H,24,29)(H,27,28)
InChI Key:
OZRPIBZONWDLET-UHFFFAOYSA-N
SMILES:
O=C(NC(C(=O)O)Cc1cn(nc1C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
608  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.169g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
405.454g/mol
Monoisotopic Mass:
405.169g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties