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116532-63-9 | 1,3-Benzodioxol-4-amine, N-methyl-
CAS No: 116532-63-9 Catalog No: AG000CQD MDL No:
Product Description
Catalog Number:
AG000CQD
Chemical Name:
1,3-Benzodioxol-4-amine, N-methyl-
CAS Number:
116532-63-9
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
IUPAC Name:
N-methyl-1,3-benzodioxol-4-amine
InChI:
InChI=1S/C8H9NO2/c1-9-6-3-2-4-7-8(6)11-5-10-7/h2-4,9H,5H2,1H3
InChI Key:
MGYHZFCWISJIMY-UHFFFAOYSA-N
SMILES:
CNc1cccc2c1OCO2
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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