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1260900-20-6 | 2,7-Diazaspiro[4.5]decane-7-carboxylic acid, 1-oxo-4-phenyl-, 1,1-dimethylethyl ester
CAS No: 1260900-20-6 Catalog No: AG000RLF MDL No:MFCD18374271
Product Description
Catalog Number:
AG000RLF
Chemical Name:
2,7-Diazaspiro[4.5]decane-7-carboxylic acid, 1-oxo-4-phenyl-, 1,1-dimethylethyl ester
CAS Number:
1260900-20-6
Molecular Formula:
C19H26N2O3
Molecular Weight:
330.4213
MDL Number:
MFCD18374271
IUPAC Name:
tert-butyl 1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
InChI:
InChI=1S/C19H26N2O3/c1-18(2,3)24-17(23)21-11-7-10-19(13-21)15(12-20-16(19)22)14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,20,22)
InChI Key:
GDHZDHBRAYWWBH-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC2(C1)C(=O)NCC2c1ccccc1)OC(C)(C)C
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.194g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.428g/mol
Monoisotopic Mass:
330.194g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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