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113975-93-2 | Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, [N(E)]-
CAS No: 113975-93-2 Catalog No: AG000A7S MDL No:
Product Description
Catalog Number:
AG000A7S
Chemical Name:
Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, [N(E)]-
CAS Number:
113975-93-2
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
IUPAC Name:
1-(1,3-benzodioxol-5-yl)-N-methylmethanimine
InChI:
InChI=1S/C9H9NO2/c1-10-5-7-2-3-8-9(4-7)12-6-11-8/h2-5H,6H2,1H3
InChI Key:
VKOWSAAXBQIQFU-UHFFFAOYSA-N
SMILES:
C/N=C/c1ccc2c(c1)OCO2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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