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202665-68-7 | 1-Propanol, 3-[[(4-methoxyphenyl)methyl]thio]-
CAS No: 202665-68-7 Catalog No: AG0028CN MDL No:
Product Description
Catalog Number:
AG0028CN
Chemical Name:
1-Propanol, 3-[[(4-methoxyphenyl)methyl]thio]-
CAS Number:
202665-68-7
Molecular Formula:
C11H16O2S
Molecular Weight:
212.3085
IUPAC Name:
3-[(4-methoxyphenyl)methylsulfanyl]propan-1-ol
InChI:
InChI=1S/C11H16O2S/c1-13-11-5-3-10(4-6-11)9-14-8-2-7-12/h3-6,12H,2,7-9H2,1H3
InChI Key:
CFKLXMNRDPVQNB-UHFFFAOYSA-N
SMILES:
OCCCSCc1ccc(cc1)OC
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.087g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.307g/mol
Monoisotopic Mass:
212.087g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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