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113768-14-2 | 2,4-Pentanedione, 3,3-dimethyl-, dioxime, (E,E)- (9CI)
CAS No: 113768-14-2 Catalog No: AG0009M1 MDL No:
Product Description
Catalog Number:
AG0009M1
Chemical Name:
2,4-Pentanedione, 3,3-dimethyl-, dioxime, (E,E)- (9CI)
CAS Number:
113768-14-2
Molecular Formula:
C7H14N2O2
Molecular Weight:
158.1983
IUPAC Name:
N-(4-hydroxyimino-3,3-dimethylpentan-2-ylidene)hydroxylamine
InChI:
InChI=1S/C7H14N2O2/c1-5(8-10)7(3,4)6(2)9-11/h10-11H,1-4H3
InChI Key:
QAKVUHWNEKVTLH-UHFFFAOYSA-N
SMILES:
O/N=C(/C(/C(=N/O)/C)(C)C)\C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.106g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.201g/mol
Monoisotopic Mass:
158.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.2
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