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86199-24-8 | Thiocyanic acid,(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester
CAS No: 86199-24-8 Catalog No: AG004SQK MDL No:
Product Description
Catalog Number:
AG004SQK
Chemical Name:
Thiocyanic acid,(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester
CAS Number:
86199-24-8
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
IUPAC Name:
(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)methyl thiocyanate
InChI:
InChI=1S/C10H10N2O2S/c11-5-15-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-2,7-8H,3-4,6H2
InChI Key:
LTEHQEQTUALDQW-UHFFFAOYSA-N
SMILES:
N#CSCN1C(=O)C2C(C1=O)CC=CC2
NSC Number:
19632
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.262g/mol
Monoisotopic Mass:
222.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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