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88880-88-0 | 1,2,4-Triazolidine-3,5-dione, 1,2-bis(oxiranylmethyl)-4-(2-propenyl)-
CAS No: 88880-88-0 Catalog No: AG0049JH MDL No:
Product Description
Catalog Number:
AG0049JH
Chemical Name:
1,2,4-Triazolidine-3,5-dione, 1,2-bis(oxiranylmethyl)-4-(2-propenyl)-
CAS Number:
88880-88-0
Molecular Formula:
C11H15N3O4
Molecular Weight:
253.2545
IUPAC Name:
1,2-bis(oxiran-2-ylmethyl)-4-prop-2-enyl-1,2,4-triazolidine-3,5-dione
InChI:
InChI=1S/C11H15N3O4/c1-2-3-12-10(15)13(4-8-6-17-8)14(11(12)16)5-9-7-18-9/h2,8-9H,1,3-7H2
InChI Key:
HVKRSTYWOKQFPY-UHFFFAOYSA-N
SMILES:
C=CCn1c(=O)n(n(c1=O)CC1CO1)CC1CO1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.258g/mol
Monoisotopic Mass:
253.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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