Home Other Building Blocks 10-Undecynoic acid, methyl ester

10-Undecynoic acid, methyl ester

CAS No.:
2777-66-4
Catalog Number:
AG002UPK
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
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Product Description
Catalog Number:
AG002UPK
Chemical Name:
10-Undecynoic acid, methyl ester
CAS Number:
2777-66-4
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
MDL Number:
MFCD00190208
IUPAC Name:
methyl undec-10-ynoate
InChI:
InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h1H,4-11H2,2H3
InChI Key:
TXFNJLOAXFOJGK-UHFFFAOYSA-N
SMILES:
C#CCCCCCCCCC(=O)OC
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties