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24066-82-8 | Ethyl Isothiocyanatoacetate
CAS No: 24066-82-8 Catalog No: AG003QFM MDL No:MFCD00060677
Product Description
Catalog Number:
AG003QFM
Chemical Name:
Ethyl Isothiocyanatoacetate
CAS Number:
24066-82-8
Molecular Formula:
C5H7NO2S
Molecular Weight:
145.1796
MDL Number:
MFCD00060677
IUPAC Name:
ethyl 2-isothiocyanatoacetate
InChI:
InChI=1S/C5H7NO2S/c1-2-8-5(7)3-6-4-9/h2-3H2,1H3
InChI Key:
IYPSSPPKMLXXRN-UHFFFAOYSA-N
SMILES:
CCOC(=O)CN=C=S
Properties
Complexity:
140
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:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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