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209125-20-2 | Phenol, 2-(heptylthio)-, 1-acetate
CAS No: 209125-20-2 Catalog No: AG002K1W MDL No:
Product Description
Catalog Number:
AG002K1W
Chemical Name:
Phenol, 2-(heptylthio)-, 1-acetate
CAS Number:
209125-20-2
Molecular Formula:
C15H22O2S
Molecular Weight:
266.3990
IUPAC Name:
acetic acid;2-heptylsulfanylphenol
InChI:
InChI=1S/C13H20OS.C2H4O2/c1-2-3-4-5-8-11-15-13-10-7-6-9-12(13)14;1-2(3)4/h6-7,9-10,14H,2-5,8,11H2,1H3;1H3,(H,3,4)
InChI Key:
NPUYIBAHTWFLPS-UHFFFAOYSA-N
SMILES:
CCCCCCCSc1ccccc1OC(=O)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.145g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.414g/mol
Monoisotopic Mass:
284.145g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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