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13732-32-6 | 2,3-Butanedione, 2-(2-phenylhydrazone)
CAS No: 13732-32-6 Catalog No: AG001349 MDL No:
Product Description
Catalog Number:
AG001349
Chemical Name:
2,3-Butanedione, 2-(2-phenylhydrazone)
CAS Number:
13732-32-6
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
IUPAC Name:
3-(phenylhydrazinylidene)butan-2-one
InChI:
InChI=1S/C10H12N2O/c1-8(9(2)13)11-12-10-6-4-3-5-7-10/h3-7,12H,1-2H3
InChI Key:
HUHADASXDUCZMY-UHFFFAOYSA-N
SMILES:
CC(=NNc1ccccc1)C(=O)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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