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114413-84-2 | Ethanamine, N-(1,3-benzodioxol-4-ylmethylene)-
CAS No: 114413-84-2 Catalog No: AG000B9V MDL No:
Product Description
Catalog Number:
AG000B9V
Chemical Name:
Ethanamine, N-(1,3-benzodioxol-4-ylmethylene)-
CAS Number:
114413-84-2
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
1-(1,3-benzodioxol-4-yl)-N-ethylmethanimine
InChI:
InChI=1S/C10H11NO2/c1-2-11-6-8-4-3-5-9-10(8)13-7-12-9/h3-6H,2,7H2,1H3
InChI Key:
XLBIUTGYAMRVTC-UHFFFAOYSA-N
SMILES:
CCN=Cc1cccc2c1OCO2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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