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90083-86-6 | 3-Cyclohexene-1-carboxaldehyde, 2-(acetyloxy)-4-(phenylthio)-, cis-
CAS No: 90083-86-6 Catalog No: AG006K32 MDL No:
Product Description
Catalog Number:
AG006K32
Chemical Name:
3-Cyclohexene-1-carboxaldehyde, 2-(acetyloxy)-4-(phenylthio)-, cis-
CAS Number:
90083-86-6
Molecular Formula:
C15H16O3S
Molecular Weight:
276.3507
IUPAC Name:
(6-formyl-3-phenylsulfanylcyclohex-2-en-1-yl) acetate
InChI:
InChI=1S/C15H16O3S/c1-11(17)18-15-9-14(8-7-12(15)10-16)19-13-5-3-2-4-6-13/h2-6,9-10,12,15H,7-8H2,1H3
InChI Key:
ISDWSGFYBCKYNE-UHFFFAOYSA-N
SMILES:
O=C[C@@H]1CCC(=C[C@@H]1OC(=O)C)Sc1ccccc1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.35g/mol
Monoisotopic Mass:
276.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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