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Home > Indoles and Oxindole > 102367-29-3
102367-29-3 | Thiocyanic acid, 2-(octahydro-1,3-dioxo-4,7-epoxy-2H-isoindol-2-yl)ethyl ester
CAS No: 102367-29-3 Catalog No: AG0007AK MDL No:
Product Description
Catalog Number:
AG0007AK
Chemical Name:
Thiocyanic acid, 2-(octahydro-1,3-dioxo-4,7-epoxy-2H-isoindol-2-yl)ethyl ester
CAS Number:
102367-29-3
Molecular Formula:
C11H12N2O3S
Molecular Weight:
252.2896
IUPAC Name:
2-(1,3-dioxo-4,7-epoxyisoindol-2-yl)ethyl thiocyanate
InChI:
InChI=1S/C11H6N2O3S/c12-5-17-4-3-13-10(14)8-6-1-2-7(16-6)9(8)11(13)15/h1-2H,3-4H2
InChI Key:
KIBMFAFKVSJJBU-UHFFFAOYSA-N
SMILES:
N#CSCCN1C(=O)C2C(C1=O)C1OC2CC1
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.01g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.24g/mol
Monoisotopic Mass:
246.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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