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919123-78-7

919123-78-7 | 4-Nonen-2-ynoic acid, 5-iodo-, ethyl ester, (4Z)-

CAS No: 919123-78-7 Catalog No: AG0067V9 MDL No:

Product Description

Catalog Number:
AG0067V9
Chemical Name:
4-Nonen-2-ynoic acid, 5-iodo-, ethyl ester, (4Z)-
CAS Number:
919123-78-7
Molecular Formula:
C11H15IO2
Molecular Weight:
306.1401
IUPAC Name:
ethyl 5-iodonon-4-en-2-ynoate
InChI:
InChI=1S/C11H15IO2/c1-3-5-7-10(12)8-6-9-11(13)14-4-2/h8H,3-5,7H2,1-2H3
InChI Key:
BXSYYVLOVBGJGT-UHFFFAOYSA-N
SMILES:
CCCC/C(=C/C#CC(=O)OCC)/I

Properties

Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.012g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.143g/mol
Monoisotopic Mass:
306.012g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.5  

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