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646071-49-0 | Benzaldehyde, 4-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)ethoxy]-
CAS No: 646071-49-0 Catalog No: AG006SAK MDL No:
Product Description
Catalog Number:
AG006SAK
Chemical Name:
Benzaldehyde, 4-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)ethoxy]-
CAS Number:
646071-49-0
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
IUPAC Name:
4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]benzaldehyde
InChI:
InChI=1S/C16H21NO4/c18-13-14-1-3-15(4-2-14)19-10-9-17-7-5-16(6-8-17)20-11-12-21-16/h1-4,13H,5-12H2
InChI Key:
YINGMGPGNMZDMC-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OCCN1CCC2(CC1)OCCO2
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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