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111899-95-7 | 2,5-Furandione, dihydro-3-methyl-4-(pentadecenyl)-
CAS No: 111899-95-7 Catalog No: AG007DFQ MDL No:
Product Description
Catalog Number:
AG007DFQ
Chemical Name:
2,5-Furandione, dihydro-3-methyl-4-(pentadecenyl)-
CAS Number:
111899-95-7
Molecular Formula:
C20H34O3
Molecular Weight:
322.4822
IUPAC Name:
3-methyl-4-pentadec-1-enyloxolane-2,5-dione
InChI:
InChI=1S/C20H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17(2)19(21)23-20(18)22/h15-18H,3-14H2,1-2H3
InChI Key:
YIPSABMITQUEMX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC=CC1C(=O)OC(=O)C1C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.251g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.489g/mol
Monoisotopic Mass:
322.251g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
7.6
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