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54060-30-9 | 3-Ethynylaniline
CAS No: 54060-30-9 Catalog No: AG003JER MDL No:MFCD00014779
Product Description
Catalog Number:
AG003JER
Chemical Name:
3-Ethynylaniline
CAS Number:
54060-30-9
Molecular Formula:
C8H7N
Molecular Weight:
117.1479
MDL Number:
MFCD00014779
IUPAC Name:
3-ethynylaniline
InChI:
InChI=1S/C8H7N/c1-2-7-4-3-5-8(9)6-7/h1,3-6H,9H2
InChI Key:
NNKQLUVBPJEUOR-UHFFFAOYSA-N
SMILES:
C#Cc1cccc(c1)N
EC Number:
258-944-6
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
117.151g/mol
Monoisotopic Mass:
117.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Post-treatment of a submerged anaerobic membrane bioreactor (SAMBR) saline effluent using powdered activated carbon (PAC). | Journal of hazardous materials 20100515 |
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