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140375-19-5 | 5-Heptenoic acid, 7-[3-(6-hydroxy-2,4-undecadien-1-yl)-2-oxiranyl]-
CAS No: 140375-19-5 Catalog No: AG001CA0 MDL No:
Product Description
Catalog Number:
AG001CA0
Chemical Name:
5-Heptenoic acid, 7-[3-(6-hydroxy-2,4-undecadien-1-yl)-2-oxiranyl]-
CAS Number:
140375-19-5
Molecular Formula:
C20H32O4
Molecular Weight:
336.4657
IUPAC Name:
7-[3-(6-hydroxyundeca-2,4-dienyl)oxiran-2-yl]hept-5-enoic acid
InChI:
InChI=1S/C20H32O4/c1-2-3-7-12-17(21)13-8-6-10-15-19-18(24-19)14-9-4-5-11-16-20(22)23/h4,6,8-10,13,17-19,21H,2-3,5,7,11-12,14-16H2,1H3,(H,22,23)
InChI Key:
XIWWBWZMSCXNBW-UHFFFAOYSA-N
SMILES:
CCCCCC(C=CC=CCC1OC1CC=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:
4.2
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