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828916-56-9 | 2(5H)-Furanone, 4-[(3,4-dimethyl-3-pentenyl)oxy]-
CAS No: 828916-56-9 Catalog No: AG0054XZ MDL No:
Product Description
Catalog Number:
AG0054XZ
Chemical Name:
2(5H)-Furanone, 4-[(3,4-dimethyl-3-pentenyl)oxy]-
CAS Number:
828916-56-9
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
IUPAC Name:
3-(3,4-dimethylpent-3-enoxy)-2H-furan-5-one
InChI:
InChI=1S/C11H16O3/c1-8(2)9(3)4-5-13-10-6-11(12)14-7-10/h6H,4-5,7H2,1-3H3
InChI Key:
VEMMSVDLHLYUQQ-UHFFFAOYSA-N
SMILES:
CC(=C(C)C)CCOC1=CC(=O)OC1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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