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Home > Other Heterocycles > 87970-13-6
87970-13-6 | 1,5-Dioxaspiro[5.5]undecane-3-propanal, oxime
CAS No: 87970-13-6 Catalog No: AG004LYI MDL No:
Product Description
Catalog Number:
AG004LYI
Chemical Name:
1,5-Dioxaspiro[5.5]undecane-3-propanal, oxime
CAS Number:
87970-13-6
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
IUPAC Name:
N-[3-(1,5-dioxaspiro[5.5]undecan-3-yl)propylidene]hydroxylamine
InChI:
InChI=1S/C12H21NO3/c14-13-8-4-5-11-9-15-12(16-10-11)6-2-1-3-7-12/h8,11,14H,1-7,9-10H2
InChI Key:
HJOQYHVZUHLPIV-UHFFFAOYSA-N
SMILES:
ON=CCCC1COC2(OC1)CCCCC2
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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