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34300-45-3 | 2,5-DIETHYL-3,4-DIHYDRO-2H-PYRAN-2-CARBOXALDEHYDE SEMICARBAZONE
CAS No: 34300-45-3 Catalog No: AG007GUX MDL No:
Product Description
Catalog Number:
AG007GUX
Chemical Name:
2,5-DIETHYL-3,4-DIHYDRO-2H-PYRAN-2-CARBOXALDEHYDE SEMICARBAZONE
CAS Number:
34300-45-3
Molecular Formula:
C11H19N3O2
Molecular Weight:
225.2875
IUPAC Name:
[(E)-(2,5-diethyl-3,4-dihydropyran-2-yl)methylideneamino]urea
InChI:
InChI=1S/C11H19N3O2/c1-3-9-5-6-11(4-2,16-7-9)8-13-14-10(12)15/h7-8H,3-6H2,1-2H3,(H3,12,14,15)/b13-8+
InChI Key:
ROGKAYRWRDBXAF-MDWZMJQESA-N
SMILES:
CCC1(CCC(=CO1)CC)C=NNC(=O)N
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
225.148g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.292g/mol
Monoisotopic Mass:
225.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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