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139033-11-7 | 5,7-Octadiynoic acid, 4-oxo-8-(trimethylsilyl)-, methyl ester
CAS No: 139033-11-7 Catalog No: AG001A15 MDL No:
Product Description
Catalog Number:
AG001A15
Chemical Name:
5,7-Octadiynoic acid, 4-oxo-8-(trimethylsilyl)-, methyl ester
CAS Number:
139033-11-7
Molecular Formula:
C12H16O3Si
Molecular Weight:
236.3391
IUPAC Name:
methyl 4-oxo-8-trimethylsilylocta-5,7-diynoate
InChI:
InChI=1S/C12H16O3Si/c1-15-12(14)9-8-11(13)7-5-6-10-16(2,3)4/h8-9H2,1-4H3
InChI Key:
JKQIMBVRPGFBQD-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(=O)C#CC#C[Si](C)(C)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.342g/mol
Monoisotopic Mass:
236.087g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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