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859851-03-9 | Thieno[3,4-b]-1,4-dioxin-5-methanamine,2,3-dihydro-N-methyl-
CAS No: 859851-03-9 Catalog No: AG004VNJ MDL No:MFCD08271957
Product Description
Catalog Number:
AG004VNJ
Chemical Name:
Thieno[3,4-b]-1,4-dioxin-5-methanamine,2,3-dihydro-N-methyl-
CAS Number:
859851-03-9
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
MDL Number:
MFCD08271957
IUPAC Name:
1-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N-methylmethanamine
InChI:
InChI=1S/C8H11NO2S/c1-9-4-7-8-6(5-12-7)10-2-3-11-8/h5,9H,2-4H2,1H3
InChI Key:
OKANPAKWXRYBAJ-UHFFFAOYSA-N
SMILES:
CNCc1scc2c1OCCO2
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.241g/mol
Monoisotopic Mass:
185.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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