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164526-13-0 | Ethanone, 1-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-
CAS No: 164526-13-0 Catalog No: AG001UXR MDL No:MFCD00561825
Product Description
Catalog Number:
AG001UXR
Chemical Name:
Ethanone, 1-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-
CAS Number:
164526-13-0
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD00561825
IUPAC Name:
1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone
InChI:
InChI=1S/C10H11NO3/c1-6(12)7-4-9-10(5-8(7)11)14-3-2-13-9/h4-5H,2-3,11H2,1H3
InChI Key:
IYNHYCZHYHZGMW-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc2OCCOc2cc1N
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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