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Home > Other Heterocycles > 2060040-42-6
2060040-42-6 | 3-{1,4-dioxaspiro[4.5]decan-8-yl}aniline
CAS No: 2060040-42-6 Catalog No: AG01BY3U MDL No:MFCD30488417
Product Description
Catalog Number:
AG01BY3U
Chemical Name:
3-{1,4-dioxaspiro[4.5]decan-8-yl}aniline
CAS Number:
2060040-42-6
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
MDL Number:
MFCD30488417
IUPAC Name:
3-(1,4-dioxaspiro[4.5]decan-8-yl)aniline
InChI:
InChI=1S/C14H19NO2/c15-13-3-1-2-12(10-13)11-4-6-14(7-5-11)16-8-9-17-14/h1-3,10-11H,4-9,15H2
InChI Key:
ZVRHCPFMCUFCDW-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)C1CCC2(CC1)OCCO2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.311g/mol
Monoisotopic Mass:
233.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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