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Home > Other Heterocycles > 833452-47-4
833452-47-4 | 1,2-Oxathiane, 3-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)-, 2,2-dioxide
CAS No: 833452-47-4 Catalog No: AG004SRR MDL No:
Product Description
Catalog Number:
AG004SRR
Chemical Name:
1,2-Oxathiane, 3-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)-, 2,2-dioxide
CAS Number:
833452-47-4
Molecular Formula:
C12H18O3S
Molecular Weight:
242.3345
IUPAC Name:
3-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxathiane 2,2-dioxide
InChI:
InChI=1S/C12H18O3S/c13-16(14)12(2-1-5-15-16)8-11-7-9-3-4-10(11)6-9/h3-4,9-12H,1-2,5-8H2
InChI Key:
AADOEBCAHFUAHM-UHFFFAOYSA-N
SMILES:
O=S1(=O)OCCCC1CC1CC2CC1C=C2
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.333g/mol
Monoisotopic Mass:
242.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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