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Home > Other Heterocycles > 177-12-8
177-12-8 | 1,2,4-Trioxaspiro[4.5]decane
CAS No: 177-12-8 Catalog No: AG00252O MDL No:
Product Description
Catalog Number:
AG00252O
Chemical Name:
1,2,4-Trioxaspiro[4.5]decane
CAS Number:
177-12-8
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
IUPAC Name:
1,2,4-trioxaspiro[4.5]decane
InChI:
InChI=1S/C7H12O3/c1-2-4-7(5-3-1)8-6-9-10-7/h1-6H2
InChI Key:
VVNXNFDOBGGJRM-UHFFFAOYSA-N
SMILES:
C1CCC2(CC1)OOCO2
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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