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29565-39-7 | 2,5-Furandione, 3-(2-ethylhexenyl)dihydro- (9CI)
CAS No: 29565-39-7 Catalog No: AG002YS3 MDL No:
Product Description
Catalog Number:
AG002YS3
Chemical Name:
2,5-Furandione, 3-(2-ethylhexenyl)dihydro- (9CI)
CAS Number:
29565-39-7
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
IUPAC Name:
3-(2-ethylhex-1-enyl)oxolane-2,5-dione
InChI:
InChI=1S/C12H18O3/c1-3-5-6-9(4-2)7-10-8-11(13)15-12(10)14/h7,10H,3-6,8H2,1-2H3
InChI Key:
VRHVIMKDGPTATK-UHFFFAOYSA-N
SMILES:
CCCCC(=CC1CC(=O)OC1=O)CC
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.273g/mol
Monoisotopic Mass:
210.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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