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113768-15-3 | 2,4-Pentanedione, 3,3-bis(phenylmethyl)-, dioxime, (E,E)- (9CI)
CAS No: 113768-15-3 Catalog No: AG0009M0 MDL No:
Product Description
Catalog Number:
AG0009M0
Chemical Name:
2,4-Pentanedione, 3,3-bis(phenylmethyl)-, dioxime, (E,E)- (9CI)
CAS Number:
113768-15-3
Molecular Formula:
C19H22N2O2
Molecular Weight:
310.3902
IUPAC Name:
N-(3,3-dibenzyl-4-hydroxyiminopentan-2-ylidene)hydroxylamine
InChI:
InChI=1S/C19H22N2O2/c1-15(20-22)19(16(2)21-23,13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12,22-23H,13-14H2,1-2H3
InChI Key:
KGFWGPTUACOXHJ-UHFFFAOYSA-N
SMILES:
O/N=C(/C(/C(=N/O)/C)(Cc1ccccc1)Cc1ccccc1)\C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.168g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.397g/mol
Monoisotopic Mass:
310.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.1
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