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14678-39-8 | Benzenamine, N-1,3-dioxolan-2-ylidene-
CAS No: 14678-39-8 Catalog No: AG001EBD MDL No:
Product Description
Catalog Number:
AG001EBD
Chemical Name:
Benzenamine, N-1,3-dioxolan-2-ylidene-
CAS Number:
14678-39-8
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
IUPAC Name:
N-phenyl-1,3-dioxolan-2-imine
InChI:
InChI=1S/C9H9NO2/c1-2-4-8(5-3-1)10-9-11-6-7-12-9/h1-5H,6-7H2
InChI Key:
ZHXNCHCDWQOJTC-UHFFFAOYSA-N
SMILES:
C1COC(=Nc2ccccc2)O1
Properties
Complexity:
165
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:
2.1
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