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Home > Other Heterocycles > 1330756-23-4
1330756-23-4 | 1,9-dioxaspiro[5.5]undecan-4-one
CAS No: 1330756-23-4 Catalog No: AG00J2AH MDL No:MFCD19651145
Product Description
Catalog Number:
AG00J2AH
Chemical Name:
1,9-dioxaspiro[5.5]undecan-4-one
CAS Number:
1330756-23-4
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD19651145
IUPAC Name:
1,9-dioxaspiro[5.5]undecan-4-one
InChI:
InChI=1S/C9H14O3/c10-8-1-4-12-9(7-8)2-5-11-6-3-9/h1-7H2
InChI Key:
KJJVDZGTYFEALW-UHFFFAOYSA-N
SMILES:
O=C1CCOC2(C1)CCOCC2
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/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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