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102053-72-5 | 2-Oxiraneoctanoic acid, 3-(1-hydroxy-2-octen-1-yl)-, methyl ester
CAS No: 102053-72-5 Catalog No: AG0006H3 MDL No:
Product Description
Catalog Number:
AG0006H3
Chemical Name:
2-Oxiraneoctanoic acid, 3-(1-hydroxy-2-octen-1-yl)-, methyl ester
CAS Number:
102053-72-5
Molecular Formula:
C19H34O4
Molecular Weight:
326.4709
IUPAC Name:
methyl 8-[3-(1-hydroxyoct-2-enyl)oxiran-2-yl]octanoate
InChI:
InChI=1S/C19H34O4/c1-3-4-5-7-10-13-16(20)19-17(23-19)14-11-8-6-9-12-15-18(21)22-2/h10,13,16-17,19-20H,3-9,11-12,14-15H2,1-2H3
InChI Key:
PDGUXIIVPKODNL-UHFFFAOYSA-N
SMILES:
CCCCCC=CC(C1OC1CCCCCCCC(=O)OC)O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.246g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.477g/mol
Monoisotopic Mass:
326.246g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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