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87802-30-0 | 7-Octen-4-one, 2-(1,3-dioxolan-2-yl)-7-ethoxy-2-methyl-
CAS No: 87802-30-0 Catalog No: AG004I4J MDL No:
Product Description
Catalog Number:
AG004I4J
Chemical Name:
7-Octen-4-one, 2-(1,3-dioxolan-2-yl)-7-ethoxy-2-methyl-
CAS Number:
87802-30-0
Molecular Formula:
C14H24O4
Molecular Weight:
256.3380
IUPAC Name:
2-(1,3-dioxolan-2-yl)-7-ethoxy-2-methyloct-7-en-4-one
InChI:
InChI=1S/C14H24O4/c1-5-16-11(2)6-7-12(15)10-14(3,4)13-17-8-9-18-13/h13H,2,5-10H2,1,3-4H3
InChI Key:
GOMPJQLKPXJXAH-UHFFFAOYSA-N
SMILES:
CCOC(=C)CCC(=O)CC(C1OCCO1)(C)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.167g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.342g/mol
Monoisotopic Mass:
256.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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