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3371-90-2 | 4-BUTOXYBENZALDEHYDE SEMICARBAZONE
CAS No: 3371-90-2 Catalog No: AG007IXA MDL No:MFCD00451346
Product Description
Catalog Number:
AG007IXA
Chemical Name:
4-BUTOXYBENZALDEHYDE SEMICARBAZONE
CAS Number:
3371-90-2
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
MDL Number:
MFCD00451346
IUPAC Name:
[(4-butoxyphenyl)methylideneamino]urea
InChI:
InChI=1S/C12H17N3O2/c1-2-3-8-17-11-6-4-10(5-7-11)9-14-15-12(13)16/h4-7,9H,2-3,8H2,1H3,(H3,13,15,16)
InChI Key:
GADFIULHCSPJFO-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C=NNC(=O)N
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.287g/mol
Monoisotopic Mass:
235.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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