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69766-28-5 | 2-(1-MORPHOLINOETHYL)-1,4-BENZODIOXAN
CAS No: 69766-28-5 Catalog No: AG005I0K MDL No:
Product Description
Catalog Number:
AG005I0K
Chemical Name:
2-(1-MORPHOLINOETHYL)-1,4-BENZODIOXAN
CAS Number:
69766-28-5
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
IUPAC Name:
4-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]morpholine
InChI:
InChI=1S/C14H19NO3/c1-11(15-6-8-16-9-7-15)14-10-17-12-4-2-3-5-13(12)18-14/h2-5,11,14H,6-10H2,1H3
InChI Key:
HTGYYXDALADZAT-UHFFFAOYSA-N
SMILES:
CC(C1COc2c(O1)cccc2)N1CCOCC1
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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