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168422-43-3

168422-43-3 | 7-Tridecen-4-ynoic acid, methyl ester, (7Z)-

CAS No: 168422-43-3 Catalog No: AG001Y1U MDL No:

Product Description

Catalog Number:
AG001Y1U
Chemical Name:
7-Tridecen-4-ynoic acid, methyl ester, (7Z)-
CAS Number:
168422-43-3
Molecular Formula:
C14H22O2
Molecular Weight:
222.3233
IUPAC Name:
methyl tridec-7-en-4-ynoate
InChI:
InChI=1S/C14H22O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h7-8H,3-6,9,12-13H2,1-2H3
InChI Key:
ZWRYDSKUKPZEDV-UHFFFAOYSA-N
SMILES:
CCCCC/C=C\CC#CCCC(=O)OC

Properties

Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.162g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.328g/mol
Monoisotopic Mass:
222.162g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.1  

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