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1,4-dioxaspiro[4.6]undecan-8-one

1,4-dioxaspiro[4.6]undecan-8-one

CAS: 4792-37-4

Formula: C9H14O3

SMILES: O=C1CCCC2(CC1)OCCO2

IUPAC: 1,4-dioxaspiro[4.6]undecan-8-one

InChI: InChI=1S/C9H14O3/c10-8-2-1-4-9(5-3-8)11-6-7-12-9/h1-7H2

Composition: C (63.51%), H (8.29%), O (28.20%)

Molar Mass: 170.208

Atom Count: 26

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 170.094294311
Formal Charge 0
FSP3 0.89
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey IZELAGGXOUSOTJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.74
Topological Polar Surface Area 35.53
Polarizability 17.34
Ring Count 2
Rotatable Bond Count 0

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