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164576-44-7 | 1,3-Dioxane-4-acetic acid, 6-ethenyl-2,2-dimethyl-, methyl ester, (4R,6S)-
CAS No: 164576-44-7 Catalog No: AG001UYE MDL No:
Product Description
Catalog Number:
AG001UYE
Chemical Name:
1,3-Dioxane-4-acetic acid, 6-ethenyl-2,2-dimethyl-, methyl ester, (4R,6S)-
CAS Number:
164576-44-7
Molecular Formula:
C11H18O4
Molecular Weight:
214.2582
IUPAC Name:
methyl 2-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate
InChI:
InChI=1S/C11H18O4/c1-5-8-6-9(7-10(12)13-4)15-11(2,3)14-8/h5,8-9H,1,6-7H2,2-4H3/t8-,9-/m1/s1
InChI Key:
IKPJCBLQMNTXJM-RKDXNWHRSA-N
SMILES:
COC(=O)C[C@H]1C[C@@H](C=C)OC(O1)(C)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
214.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.261g/mol
Monoisotopic Mass:
214.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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