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Home > Other Heterocycles > 606492-39-1
606492-39-1 | hexahydro-1'H-spiro[1,3-dioxolane-2,2'-pentalene]-5'-one
CAS No: 606492-39-1 Catalog No: AG01BA64 MDL No:MFCD28384037
Product Description
Catalog Number:
AG01BA64
Chemical Name:
hexahydro-1'H-spiro[1,3-dioxolane-2,2'-pentalene]-5'-one
CAS Number:
606492-39-1
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
MDL Number:
MFCD28384037
IUPAC Name:
spiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-one
InChI:
InChI=1S/C10H14O3/c11-9-3-7-5-10(6-8(7)4-9)12-1-2-13-10/h7-8H,1-6H2
InChI Key:
WWAYLSXXLXIQNN-UHFFFAOYSA-N
SMILES:
O=C1CC2C(C1)CC1(C2)OCCO1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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