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6078-46-2 | ethyl (3E)-3-(2-phenylhydrazin-1-ylidene)butanoate
CAS No: 6078-46-2 Catalog No: AG018S9X MDL No:MFCD01043661
Product Description
Catalog Number:
AG018S9X
Chemical Name:
ethyl (3E)-3-(2-phenylhydrazin-1-ylidene)butanoate
CAS Number:
6078-46-2
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD01043661
IUPAC Name:
ethyl (3E)-3-(phenylhydrazinylidene)butanoate
InChI:
InChI=1S/C12H16N2O2/c1-3-16-12(15)9-10(2)13-14-11-7-5-4-6-8-11/h4-8,14H,3,9H2,1-2H3/b13-10+
InChI Key:
APOGMIIQZNTEGK-JLHYYAGUSA-N
SMILES:
CCOC(=O)C/C(=N/Nc1ccccc1)/C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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