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868364-07-2 | Oxiraneoctanoic acid, 3-[[3-(2Z)-2-pentenyloxiranyl]methyl]-
CAS No: 868364-07-2 Catalog No: AG004IQR MDL No:
Product Description
Catalog Number:
AG004IQR
Chemical Name:
Oxiraneoctanoic acid, 3-[[3-(2Z)-2-pentenyloxiranyl]methyl]-
CAS Number:
868364-07-2
Molecular Formula:
C18H30O4
Molecular Weight:
310.4284
IUPAC Name:
8-[3-[(3-pent-2-enyloxiran-2-yl)methyl]oxiran-2-yl]octanoic acid
InChI:
InChI=1S/C18H30O4/c1-2-3-7-10-14-16(21-14)13-17-15(22-17)11-8-5-4-6-9-12-18(19)20/h3,7,14-17H,2,4-6,8-13H2,1H3,(H,19,20)
InChI Key:
LHRAPWPCONGCEQ-UHFFFAOYSA-N
SMILES:
CC/C=C\CC1OC1CC1OC1CCCCCCCC(=O)O
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.214g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.434g/mol
Monoisotopic Mass:
310.214g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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