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143689-30-9 | 7-Octenoic acid, 6-hydroxy-3,7-dimethyl-3-(1-propen-1-yl)-, ethyl ester
CAS No: 143689-30-9 Catalog No: AG001I6E MDL No:
Product Description
Catalog Number:
AG001I6E
Chemical Name:
7-Octenoic acid, 6-hydroxy-3,7-dimethyl-3-(1-propen-1-yl)-, ethyl ester
CAS Number:
143689-30-9
Molecular Formula:
C15H26O3
Molecular Weight:
254.3651
IUPAC Name:
ethyl 6-hydroxy-3,7-dimethyl-3-prop-1-enyloct-7-enoate
InChI:
InChI=1S/C15H26O3/c1-6-9-15(5,11-14(17)18-7-2)10-8-13(16)12(3)4/h6,9,13,16H,3,7-8,10-11H2,1-2,4-5H3
InChI Key:
HRCLDUPTTISJKF-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(CCC(C(=C)C)O)(C=CC)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.188g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.37g/mol
Monoisotopic Mass:
254.188g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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