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137394-52-6 | Octanoic acid, 8-[(hydroxymethyl)thio]-
CAS No: 137394-52-6 Catalog No: AG00138W MDL No:
Product Description
Catalog Number:
AG00138W
Chemical Name:
Octanoic acid, 8-[(hydroxymethyl)thio]-
CAS Number:
137394-52-6
Molecular Formula:
C9H18O3S
Molecular Weight:
206.3024
IUPAC Name:
8-(hydroxymethylsulfanyl)octanoic acid
InChI:
InChI=1S/C9H18O3S/c10-8-13-7-5-3-1-2-4-6-9(11)12/h10H,1-8H2,(H,11,12)
InChI Key:
KQGXNGPDMDWTDC-UHFFFAOYSA-N
SMILES:
OCSCCCCCCCC(=O)O
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.098g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.3g/mol
Monoisotopic Mass:
206.098g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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