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77298-24-9 | 2-Methoxyethyl phenyl sulfide, 98%
CAS No: 77298-24-9 Catalog No: AG003HK7 MDL No:MFCD00041329
Product Description
Catalog Number:
AG003HK7
Chemical Name:
2-Methoxyethyl phenyl sulfide, 98%
CAS Number:
77298-24-9
Molecular Formula:
C9H12OS
Molecular Weight:
168.2560
MDL Number:
MFCD00041329
IUPAC Name:
2-methoxyethylsulfanylbenzene
InChI:
InChI=1S/C9H12OS/c1-10-7-8-11-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChI Key:
ONVZBVAUSAELNQ-UHFFFAOYSA-N
SMILES:
COCCSc1ccccc1
Properties
Complexity:
89.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.061g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.254g/mol
Monoisotopic Mass:
168.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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