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81967-88-6 | (2R)-2-[(2S,5S)-5-VINYL-5-METHYL-OXOLAN-2-YL]PROPANAL
CAS No: 81967-88-6 Catalog No: AG005GAH MDL No:
Product Description
Catalog Number:
AG005GAH
Chemical Name:
(2R)-2-[(2S,5S)-5-VINYL-5-METHYL-OXOLAN-2-YL]PROPANAL
CAS Number:
81967-88-6
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
(2R)-2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propanal
InChI:
InChI=1S/C10H16O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,7-9H,1,5-6H2,2-3H3/t8-,9-,10+/m0/s1
InChI Key:
YPZQHCLBLRWNMJ-LPEHRKFASA-N
SMILES:
O=C[C@@H]([C@@H]1CC[C@@](O1)(C)C=C)C
UNII:
M4F9N3M370
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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