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7497-66-7 | ETHYL (4Z)-4-METHOXYIMINO-4-PHENYL-BUTANOATE
CAS No: 7497-66-7 Catalog No: AG0057IE MDL No:
Product Description
Catalog Number:
AG0057IE
Chemical Name:
ETHYL (4Z)-4-METHOXYIMINO-4-PHENYL-BUTANOATE
CAS Number:
7497-66-7
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
ethyl 4-methoxyimino-4-phenylbutanoate
InChI:
InChI=1S/C13H17NO3/c1-3-17-13(15)10-9-12(14-16-2)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChI Key:
BQNKVAMZYRIRJT-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC/C(=N/OC)/c1ccccc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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