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880499-88-7 | 8-Nonen-2-ynoic acid, 4-(4-pentenyl)-, methyl ester
CAS No: 880499-88-7 Catalog No: AG004ITZ MDL No:
Product Description
Catalog Number:
AG004ITZ
Chemical Name:
8-Nonen-2-ynoic acid, 4-(4-pentenyl)-, methyl ester
CAS Number:
880499-88-7
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
IUPAC Name:
methyl 4-pent-4-enylnon-8-en-2-ynoate
InChI:
InChI=1S/C15H22O2/c1-4-6-8-10-14(11-9-7-5-2)12-13-15(16)17-3/h4-5,14H,1-2,6-11H2,3H3
InChI Key:
QMOYIPBYGMLDQV-UHFFFAOYSA-N
SMILES:
COC(=O)C#CC(CCCC=C)CCCC=C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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