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76369-61-4 | 1,4-Dioxaspiro[4.5]deca-7,9-diene-2,6-dione, 9,10-dipropyl-
CAS No: 76369-61-4 Catalog No: AG005PPZ MDL No:
Product Description
Catalog Number:
AG005PPZ
Chemical Name:
1,4-Dioxaspiro[4.5]deca-7,9-diene-2,6-dione, 9,10-dipropyl-
CAS Number:
76369-61-4
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
6,7-dipropyl-1,4-dioxaspiro[4.5]deca-6,8-diene-3,10-dione
InChI:
InChI=1S/C14H18O4/c1-3-5-10-7-8-12(15)14(11(10)6-4-2)17-9-13(16)18-14/h7-8H,3-6,9H2,1-2H3
InChI Key:
KMSRBPAVVPRRJD-UHFFFAOYSA-N
SMILES:
CCCC1=C(CCC)C=CC(=O)C21OCC(=O)O2
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:
2.4
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