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207129-12-2 | 1,2,3-Imidazolidinetricarboxylic acid, 1-(1,1-dimethylethyl) 3-(9H-fluoren-9-ylmethyl) ester
CAS No: 207129-12-2 Catalog No: AG002IUW MDL No:MFCD01321020
Product Description
Catalog Number:
AG002IUW
Chemical Name:
1,2,3-Imidazolidinetricarboxylic acid, 1-(1,1-dimethylethyl) 3-(9H-fluoren-9-ylmethyl) ester
CAS Number:
207129-12-2
Molecular Formula:
C24H25N2O6-
Molecular Weight:
437.4651
MDL Number:
MFCD01321020
IUPAC Name:
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]imidazolidine-2-carboxylic acid
InChI:
InChI=1S/C24H26N2O6/c1-24(2,3)32-23(30)26-13-12-25(20(26)21(27)28)22(29)31-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,27,28)
InChI Key:
IHRMIKPTDYFJCL-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1N(CCN1C(=O)OC(C)(C)C)C(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
713
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.179g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
438.48g/mol
Monoisotopic Mass:
438.179g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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