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114461-88-0 | Ethanol, 2-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]-
CAS No: 114461-88-0 Catalog No: AG000EFT MDL No:
Product Description
Catalog Number:
AG000EFT
Chemical Name:
Ethanol, 2-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]-
CAS Number:
114461-88-0
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethanol
InChI:
InChI=1S/C11H15NO3/c13-6-5-12-7-9-8-14-10-3-1-2-4-11(10)15-9/h1-4,9,12-13H,5-8H2
InChI Key:
DQCCOFCUEJFOEX-UHFFFAOYSA-N
SMILES:
OCCNCC1COc2c(O1)cccc2
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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