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20578-45-4 | Thiocyanic acid, 2-(acetyloxy)ethyl ester
CAS No: 20578-45-4 Catalog No: AG002ACK MDL No:
Product Description
Catalog Number:
AG002ACK
Chemical Name:
Thiocyanic acid, 2-(acetyloxy)ethyl ester
CAS Number:
20578-45-4
Molecular Formula:
C5H7NO2S
Molecular Weight:
145.1796
IUPAC Name:
2-thiocyanatoethyl acetate
InChI:
InChI=1S/C5H7NO2S/c1-5(7)8-2-3-9-4-6/h2-3H2,1H3
InChI Key:
XZMHKDXDUWRHNB-UHFFFAOYSA-N
SMILES:
N#CSCCOC(=O)C
NSC Number:
30541
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.02g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.176g/mol
Monoisotopic Mass:
145.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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