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177789-21-8 | 1,3-Imidazolidinedicarboxylic acid, 1,3-bis(1,1-dimethylethyl) ester
CAS No: 177789-21-8 Catalog No: AG0025K5 MDL No:
Product Description
Catalog Number:
AG0025K5
Chemical Name:
1,3-Imidazolidinedicarboxylic acid, 1,3-bis(1,1-dimethylethyl) ester
CAS Number:
177789-21-8
Molecular Formula:
C13H24N2O4
Molecular Weight:
272.3407
IUPAC Name:
ditert-butyl imidazolidine-1,3-dicarboxylate
InChI:
InChI=1S/C13H24N2O4/c1-12(2,3)18-10(16)14-7-8-15(9-14)11(17)19-13(4,5)6/h7-9H2,1-6H3
InChI Key:
YXHPIBMSXSDEPA-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(C1)C(=O)OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.174g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.345g/mol
Monoisotopic Mass:
272.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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