Home Carboxys 6-thiaspiro[2.5]octane-1-carboxylic acid

6-thiaspiro[2.5]octane-1-carboxylic acid

CAS No.:
1249143-45-0
Catalog Number:
AG01AF3D
Molecular Formula:
C8H12O2S
Molecular Weight:
172.2447
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Product Description
Catalog Number:
AG01AF3D
Chemical Name:
6-thiaspiro[2.5]octane-1-carboxylic acid
CAS Number:
1249143-45-0
Molecular Formula:
C8H12O2S
Molecular Weight:
172.2447
MDL Number:
MFCD16744622
IUPAC Name:
6-thiaspiro[2.5]octane-2-carboxylic acid
InChI:
InChI=1S/C8H12O2S/c9-7(10)6-5-8(6)1-3-11-4-2-8/h6H,1-5H2,(H,9,10)
InChI Key:
DVFDZHDIAOOYJD-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC21CCSCC2
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.056g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.242g/mol
Monoisotopic Mass:
172.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties