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189879-26-3 | 6-Heptynoic acid, 5-hydroxy-3-oxo-7-(trimethylsilyl)-, 1-methylethyl ester
CAS No: 189879-26-3 Catalog No: AG002E2F MDL No:
Product Description
Catalog Number:
AG002E2F
Chemical Name:
6-Heptynoic acid, 5-hydroxy-3-oxo-7-(trimethylsilyl)-, 1-methylethyl ester
CAS Number:
189879-26-3
Molecular Formula:
C13H22O4Si
Molecular Weight:
270.3969
IUPAC Name:
propan-2-yl 5-hydroxy-3-oxo-7-trimethylsilylhept-6-ynoate
InChI:
InChI=1S/C13H22O4Si/c1-10(2)17-13(16)9-12(15)8-11(14)6-7-18(3,4)5/h10-11,14H,8-9H2,1-5H3
InChI Key:
CSEALAMSYSDXIC-UHFFFAOYSA-N
SMILES:
O=C(CC(C#C[Si](C)(C)C)O)CC(=O)OC(C)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.129g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.4g/mol
Monoisotopic Mass:
270.129g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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