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87942-17-4 | Acetic acid, [[(phenylhydrazono)methyl]thio]-, methyl ester
CAS No: 87942-17-4 Catalog No: AG004D5V MDL No:
Product Description
Catalog Number:
AG004D5V
Chemical Name:
Acetic acid, [[(phenylhydrazono)methyl]thio]-, methyl ester
CAS Number:
87942-17-4
Molecular Formula:
C10H12N2O2S
Molecular Weight:
224.2795
IUPAC Name:
methyl 2-[(phenylhydrazinylidene)methylsulfanyl]acetate
InChI:
InChI=1S/C10H12N2O2S/c1-14-10(13)7-15-8-11-12-9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3
InChI Key:
JAGFZXQMPCWHCN-UHFFFAOYSA-N
SMILES:
COC(=O)CSC=NNc1ccccc1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.278g/mol
Monoisotopic Mass:
224.062g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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