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211124-34-4 | Propane, 1-isothiocyanato-3-(2-methoxyethoxy)-
CAS No: 211124-34-4 Catalog No: AG002L71 MDL No:
Product Description
Catalog Number:
AG002L71
Chemical Name:
Propane, 1-isothiocyanato-3-(2-methoxyethoxy)-
CAS Number:
211124-34-4
Molecular Formula:
C7H13NO2S
Molecular Weight:
175.2486
IUPAC Name:
1-isothiocyanato-3-(2-methoxyethoxy)propane
InChI:
InChI=1S/C7H13NO2S/c1-9-5-6-10-4-2-3-8-7-11/h2-6H2,1H3
InChI Key:
NQAQSYTUFZSJNU-UHFFFAOYSA-N
SMILES:
COCCOCCCN=C=S
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.067g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.246g/mol
Monoisotopic Mass:
175.067g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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