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137078-39-8 | Cyclobutanone, 2,3-bis[(benzoyloxy)methyl]-, 1-oxime, trans- (9CI)
CAS No: 137078-39-8 Catalog No: AG0012TK MDL No:
Product Description
Catalog Number:
AG0012TK
Chemical Name:
Cyclobutanone, 2,3-bis[(benzoyloxy)methyl]-, 1-oxime, trans- (9CI)
CAS Number:
137078-39-8
Molecular Formula:
C20H19NO5
Molecular Weight:
353.3686
IUPAC Name:
[2-(benzoyloxymethyl)-3-hydroxyiminocyclobutyl]methyl benzoate
InChI:
InChI=1S/C20H19NO5/c22-19(14-7-3-1-4-8-14)25-12-16-11-18(21-24)17(16)13-26-20(23)15-9-5-2-6-10-15/h1-10,16-17,24H,11-13H2
InChI Key:
HRNAZVWOTQLCNM-UHFFFAOYSA-N
SMILES:
ON=C1C[C@H]([C@@H]1COC(=O)c1ccccc1)COC(=O)c1ccccc1
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.126g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.374g/mol
Monoisotopic Mass:
353.126g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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