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139328-49-7 | 7,10-Undecadienoic acid, 9-hydroxy-11-(3-pentyl-2-oxiranyl)-
CAS No: 139328-49-7 Catalog No: AG001ARR MDL No:
Product Description
Catalog Number:
AG001ARR
Chemical Name:
7,10-Undecadienoic acid, 9-hydroxy-11-(3-pentyl-2-oxiranyl)-
CAS Number:
139328-49-7
Molecular Formula:
C18H30O4
Molecular Weight:
310.4284
IUPAC Name:
9-hydroxy-11-(3-pentyloxiran-2-yl)undeca-7,10-dienoic acid
InChI:
InChI=1S/C18H30O4/c1-2-3-7-11-16-17(22-16)14-13-15(19)10-8-5-4-6-9-12-18(20)21/h8,10,13-17,19H,2-7,9,11-12H2,1H3,(H,20,21)
InChI Key:
IPGVMXGTNXJNAU-UHFFFAOYSA-N
SMILES:
CCCCCC1OC1C=CC(C=CCCCCCC(=O)O)O
Properties
Complexity:
362
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:
2
Isotope Atom Count:
0
Molecular Weight:
310.434g/mol
Monoisotopic Mass:
310.214g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
2
XLogP3:
3.8
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