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89149-18-8 | Acetic acid, isothiocyanato-, 2-methoxyethyl ester
CAS No: 89149-18-8 Catalog No: AG003WTD MDL No:
Product Description
Catalog Number:
AG003WTD
Chemical Name:
Acetic acid, isothiocyanato-, 2-methoxyethyl ester
CAS Number:
89149-18-8
Molecular Formula:
C6H9NO3S
Molecular Weight:
175.2056
IUPAC Name:
2-methoxyethyl 2-isothiocyanatoacetate
InChI:
InChI=1S/C6H9NO3S/c1-9-2-3-10-6(8)4-7-5-11/h2-4H2,1H3
InChI Key:
BCQUBRWTYPMLHS-UHFFFAOYSA-N
SMILES:
COCCOC(=O)CN=C=S
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.202g/mol
Monoisotopic Mass:
175.03g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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