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3256-36-8 | 4-(ALLYLOXY)BENZALDEHYDE SEMICARBAZONE
CAS No: 3256-36-8 Catalog No: AG007FAC MDL No:
Product Description
Catalog Number:
AG007FAC
Chemical Name:
4-(ALLYLOXY)BENZALDEHYDE SEMICARBAZONE
CAS Number:
3256-36-8
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
IUPAC Name:
[(4-prop-2-enoxyphenyl)methylideneamino]urea
InChI:
InChI=1S/C11H13N3O2/c1-2-7-16-10-5-3-9(4-6-10)8-13-14-11(12)15/h2-6,8H,1,7H2,(H3,12,14,15)
InChI Key:
MVIYCPAKGBXGIO-UHFFFAOYSA-N
SMILES:
C=CCOc1ccc(cc1)C=NNC(=O)N
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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