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86544-59-4 | benzylidene-(2-ethoxycarbonylethyl)-oxido-azanium
CAS No: 86544-59-4 Catalog No: AG004V43 MDL No:
Product Description
Catalog Number:
AG004V43
Chemical Name:
benzylidene-(2-ethoxycarbonylethyl)-oxido-azanium
CAS Number:
86544-59-4
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
N-(3-ethoxy-3-oxopropyl)-1-phenylmethanimine oxide
InChI:
InChI=1S/C12H15NO3/c1-2-16-12(14)8-9-13(15)10-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3/b13-10-
InChI Key:
YVMIJWQGWCNHKP-RAXLEYEMSA-N
SMILES:
CCOC(=O)CC[N+](=Cc1ccccc1)[O-]
NSC Number:
282747
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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