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147610-84-2 | 6-Azaspiro[2.5]octane-1,6-dicarboxylic acid, 1-ethyl 6-(phenylmethyl) ester
CAS No: 147610-84-2 Catalog No: AG001F1C MDL No:MFCD20265613
Product Description
Catalog Number:
AG001F1C
Chemical Name:
6-Azaspiro[2.5]octane-1,6-dicarboxylic acid, 1-ethyl 6-(phenylmethyl) ester
CAS Number:
147610-84-2
Molecular Formula:
C18H23NO4
Molecular Weight:
317.3795
MDL Number:
MFCD20265613
IUPAC Name:
6-O-benzyl 2-O-ethyl 6-azaspiro[2.5]octane-2,6-dicarboxylate
InChI:
InChI=1S/C18H23NO4/c1-2-22-16(20)15-12-18(15)8-10-19(11-9-18)17(21)23-13-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3
InChI Key:
HPESIWGAJLAFOB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CC21CCN(CC2)C(=O)OCc1ccccc1
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.163g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.385g/mol
Monoisotopic Mass:
317.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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