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100850-70-2 | Thiocyanic acid, 2-methyl-3-oxobutyl ester
CAS No: 100850-70-2 Catalog No: AG00030K MDL No:
Product Description
Catalog Number:
AG00030K
Chemical Name:
Thiocyanic acid, 2-methyl-3-oxobutyl ester
CAS Number:
100850-70-2
Molecular Formula:
C6H9NOS
Molecular Weight:
143.2068
IUPAC Name:
(2-methyl-3-oxobutyl) thiocyanate
InChI:
InChI=1S/C6H9NOS/c1-5(6(2)8)3-9-4-7/h5H,3H2,1-2H3
InChI Key:
FZVUFHSECFXODA-UHFFFAOYSA-N
SMILES:
CC(C(=O)C)CSC#N
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.04g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.204g/mol
Monoisotopic Mass:
143.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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