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207989-10-4 | 3-Oxa-7-thiatetracyclo[3.3.1.02,4.06,8]nonane (9CI)
CAS No: 207989-10-4 Catalog No: AG002JET MDL No:
Product Description
Catalog Number:
AG002JET
Chemical Name:
3-Oxa-7-thiatetracyclo[3.3.1.02,4.06,8]nonane (9CI)
CAS Number:
207989-10-4
Molecular Formula:
C7H8OS
Molecular Weight:
140.2028
IUPAC Name:
3-oxa-7-thiatetracyclo[3.3.1.02,4.06,8]nonane
InChI:
InChI=1S/C7H8OS/c1-2-4-5(8-4)3(1)7-6(2)9-7/h2-7H,1H2
InChI Key:
BZBNWQNUOSSUQS-UHFFFAOYSA-N
SMILES:
O1C2C1C1CC2C2C1S2
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.03g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.2g/mol
Monoisotopic Mass:
140.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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