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140914-11-0 | 5,8-Decadienoic acid, 10-[3-(1-hydroxy-2-octen-1-yl)-2-oxiranyl]-
CAS No: 140914-11-0 Catalog No: AG001CZW MDL No:
Product Description
Catalog Number:
AG001CZW
Chemical Name:
5,8-Decadienoic acid, 10-[3-(1-hydroxy-2-octen-1-yl)-2-oxiranyl]-
CAS Number:
140914-11-0
Molecular Formula:
C20H32O4
Molecular Weight:
336.4657
IUPAC Name:
10-[3-(1-hydroxyoct-2-enyl)oxiran-2-yl]deca-5,8-dienoic acid
InChI:
InChI=1S/C20H32O4/c1-2-3-4-8-11-14-17(21)20-18(24-20)15-12-9-6-5-7-10-13-16-19(22)23/h5,7,9,11-12,14,17-18,20-21H,2-4,6,8,10,13,15-16H2,1H3,(H,22,23)
InChI Key:
HZHLUOTUKCWBMS-UHFFFAOYSA-N
SMILES:
CCCCCC=CC(C1OC1CC=CCC=CCCCC(=O)O)O
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.23g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.472g/mol
Monoisotopic Mass:
336.23g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
3
XLogP3:
4.3
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