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Home > Other Heterocycles > 1342496-28-9
1342496-28-9 | 1,9-dioxaspiro[5.5]undec-2-en-4-one
CAS No: 1342496-28-9 Catalog No: AG01BTEH MDL No:MFCD19650952
Product Description
Catalog Number:
AG01BTEH
Chemical Name:
1,9-dioxaspiro[5.5]undec-2-en-4-one
CAS Number:
1342496-28-9
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
MDL Number:
MFCD19650952
IUPAC Name:
1,9-dioxaspiro[5.5]undec-2-en-4-one
InChI:
InChI=1S/C9H12O3/c10-8-1-4-12-9(7-8)2-5-11-6-3-9/h1,4H,2-3,5-7H2
InChI Key:
MDBHZSKCCKTAOI-UHFFFAOYSA-N
SMILES:
O=C1C=COC2(C1)CCOCC2
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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