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125096-56-2 | Propanoic acid, 2-[4-(1,1-dimethylethyl)phenoxy]-, hydrazide
CAS No: 125096-56-2 Catalog No: AG000N4B MDL No:MFCD02269953
Product Description
Catalog Number:
AG000N4B
Chemical Name:
Propanoic acid, 2-[4-(1,1-dimethylethyl)phenoxy]-, hydrazide
CAS Number:
125096-56-2
Molecular Formula:
C13H20N2O2
Molecular Weight:
236.3101
MDL Number:
MFCD02269953
IUPAC Name:
2-(4-tert-butylphenoxy)propanehydrazide
InChI:
InChI=1S/C13H20N2O2/c1-9(12(16)15-14)17-11-7-5-10(6-8-11)13(2,3)4/h5-9H,14H2,1-4H3,(H,15,16)
InChI Key:
BZNCKHGNOQBBRO-UHFFFAOYSA-N
SMILES:
NNC(=O)C(Oc1ccc(cc1)C(C)(C)C)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.152g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.315g/mol
Monoisotopic Mass:
236.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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