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1260895-21-3 | 1,4-Dioxa-8-azaspiro[4.5]decane-6,8-dicarboxylic acid, 6-ethyl 8-(phenylmethyl) ester
CAS No: 1260895-21-3 Catalog No: AG000RKN MDL No:
Product Description
Catalog Number:
AG000RKN
Chemical Name:
1,4-Dioxa-8-azaspiro[4.5]decane-6,8-dicarboxylic acid, 6-ethyl 8-(phenylmethyl) ester
CAS Number:
1260895-21-3
Molecular Formula:
C18H23NO6
Molecular Weight:
349.3783
IUPAC Name:
8-O-benzyl 6-O-ethyl 1,4-dioxa-8-azaspiro[4.5]decane-6,8-dicarboxylate
InChI:
InChI=1S/C18H23NO6/c1-2-22-16(20)15-12-19(9-8-18(15)24-10-11-25-18)17(21)23-13-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3
InChI Key:
WKWRESCBHQIRLF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CN(CCC21OCCO2)C(=O)OCc1ccccc1
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.153g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.383g/mol
Monoisotopic Mass:
349.153g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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