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101221-46-9 | Ethanol, 2-[[2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]methylamino]-
CAS No: 101221-46-9 Catalog No: AG0003ZL MDL No:
Product Description
Catalog Number:
AG0003ZL
Chemical Name:
Ethanol, 2-[[2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]methylamino]-
CAS Number:
101221-46-9
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
IUPAC Name:
2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl-methylamino]ethanol
InChI:
InChI=1S/C13H19NO3/c1-14(8-9-15)7-6-11-10-16-12-4-2-3-5-13(12)17-11/h2-5,11,15H,6-10H2,1H3
InChI Key:
RLTYCLLSHWGJIQ-UHFFFAOYSA-N
SMILES:
OCCN(CCC1COc2c(O1)cccc2)C
NSC Number:
663639
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.299g/mol
Monoisotopic Mass:
237.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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