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101221-45-8 | Ethanol, 2-[(2,3-dihydro-1,4-benzodioxin-2-yl)ethylamino]-
CAS No: 101221-45-8 Catalog No: AG0003ZM MDL No:
Product Description
Catalog Number:
AG0003ZM
Chemical Name:
Ethanol, 2-[(2,3-dihydro-1,4-benzodioxin-2-yl)ethylamino]-
CAS Number:
101221-45-8
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
IUPAC Name:
2-[2,3-dihydro-1,4-benzodioxin-3-yl(ethyl)amino]ethanol
InChI:
InChI=1S/C12H17NO3/c1-2-13(7-8-14)12-9-15-10-5-3-4-6-11(10)16-12/h3-6,12,14H,2,7-9H2,1H3
InChI Key:
ZKAKIZKTGWUHFD-UHFFFAOYSA-N
SMILES:
OCCNCCC1COc2c(O1)cccc2
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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