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13274-74-3 | 3H-1,2,4-Triazole-3,5(4H)-dione, 4-cyclohexyl-
CAS No: 13274-74-3 Catalog No: AG00113C MDL No:
Product Description
Catalog Number:
AG00113C
Chemical Name:
3H-1,2,4-Triazole-3,5(4H)-dione, 4-cyclohexyl-
CAS Number:
13274-74-3
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
IUPAC Name:
4-cyclohexyl-1,2,4-triazole-3,5-dione
InChI:
InChI=1S/C8H11N3O2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h6H,1-5H2
InChI Key:
XGMVPXIIZQTHQB-UHFFFAOYSA-N
SMILES:
O=C1N=NC(=O)N1C1CCCCC1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.195g/mol
Monoisotopic Mass:
181.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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