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88376-91-4 | 2H-Pyran-2-one, 4-ethenyltetrahydro-6-(1-methylethenyl)-, trans-
CAS No: 88376-91-4 Catalog No: AG004IPF MDL No:
Product Description
Catalog Number:
AG004IPF
Chemical Name:
2H-Pyran-2-one, 4-ethenyltetrahydro-6-(1-methylethenyl)-, trans-
CAS Number:
88376-91-4
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
(4S,6R)-4-ethenyl-6-prop-1-en-2-yloxan-2-one
InChI:
InChI=1S/C10H14O2/c1-4-8-5-9(7(2)3)12-10(11)6-8/h4,8-9H,1-2,5-6H2,3H3/t8-,9+/m0/s1
InChI Key:
BGJGWAWDYUMXTF-DTWKUNHWSA-N
SMILES:
C=C[C@@H]1CC(=O)O[C@H](C1)C(=C)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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