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139524-57-5 | 1,4-Dioxa-7-azaspiro[4.4]nonane-7-carboxylic acid, phenylmethyl ester
CAS No: 139524-57-5 Catalog No: AG001B6K MDL No:
Product Description
Catalog Number:
AG001B6K
Chemical Name:
1,4-Dioxa-7-azaspiro[4.4]nonane-7-carboxylic acid, phenylmethyl ester
CAS Number:
139524-57-5
Molecular Formula:
C14H17NO4
Molecular Weight:
263.2891
IUPAC Name:
benzyl 1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate
InChI:
InChI=1S/C14H17NO4/c16-13(17-10-12-4-2-1-3-5-12)15-7-6-14(11-15)18-8-9-19-14/h1-5H,6-11H2
InChI Key:
CJAZZHHLJMGLNB-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(C1)OCCO2)OCc1ccccc1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.293g/mol
Monoisotopic Mass:
263.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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