200,000+ products from a single source!
sales@angenechem.com
20593-60-6 | Acetic acid, 2-[[2-(2,3-dimethoxyphenyl)cyclohexyl]thio]-
CAS No: 20593-60-6 Catalog No: AG002AFQ MDL No:
Product Description
Catalog Number:
AG002AFQ
Chemical Name:
Acetic acid, 2-[[2-(2,3-dimethoxyphenyl)cyclohexyl]thio]-
CAS Number:
20593-60-6
Molecular Formula:
C16H22O4S
Molecular Weight:
310.4085
IUPAC Name:
2-[2-(2,3-dimethoxyphenyl)cyclohexyl]sulfanylacetic acid
InChI:
InChI=1S/C16H22O4S/c1-19-13-8-5-7-12(16(13)20-2)11-6-3-4-9-14(11)21-10-15(17)18/h5,7-8,11,14H,3-4,6,9-10H2,1-2H3,(H,17,18)
InChI Key:
DHPFBNZORFLLJT-UHFFFAOYSA-N
SMILES:
COc1c(OC)cccc1C1CCCCC1SCC(=O)O
NSC Number:
91068
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.124g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.408g/mol
Monoisotopic Mass:
310.124g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.