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Home > Other Heterocycles > 87744-39-6
87744-39-6 | 1,4-Dioxaspiro[4.5]deca-7,9-diene-2,6-dione, 7,10-dipropyl-
CAS No: 87744-39-6 Catalog No: AG004IOB MDL No:
Product Description
Catalog Number:
AG004IOB
Chemical Name:
1,4-Dioxaspiro[4.5]deca-7,9-diene-2,6-dione, 7,10-dipropyl-
CAS Number:
87744-39-6
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
7,10-dipropyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione
InChI:
InChI=1S/C14H18O4/c1-3-5-10-7-8-11(6-4-2)14(13(10)16)17-9-12(15)18-14/h7-8H,3-6,9H2,1-2H3
InChI Key:
QTOMVGIOLGHKRF-UHFFFAOYSA-N
SMILES:
CCCC1=CC=C(C2(C1=O)OCC(=O)O2)CCC
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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