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81213-23-2 | 2,3-Pentanedione, 4-[(4-methylphenyl)imino]-, 3-oxime, (3E,4Z)-
CAS No: 81213-23-2 Catalog No: AG004ZGO MDL No:
Product Description
Catalog Number:
AG004ZGO
Chemical Name:
2,3-Pentanedione, 4-[(4-methylphenyl)imino]-, 3-oxime, (3E,4Z)-
CAS Number:
81213-23-2
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
3-hydroxyimino-4-(4-methylphenyl)iminopentan-2-one
InChI:
InChI=1S/C12H14N2O2/c1-8-4-6-11(7-5-8)13-9(2)12(14-16)10(3)15/h4-7,16H,1-3H3
InChI Key:
QPGMOGVLRLHABJ-UHFFFAOYSA-N
SMILES:
O/N=C(\C(=N/c1ccc(cc1)C)\C)/C(=O)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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