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1353943-87-9 | 2-(2-Hydroxy-ethylamino)-1-(1H-pyrrol-2-yl)-ethanone
CAS No: 1353943-87-9 Catalog No: AG01F8HH MDL No:
Product Description
Catalog Number:
AG01F8HH
Chemical Name:
2-(2-Hydroxy-ethylamino)-1-(1H-pyrrol-2-yl)-ethanone
CAS Number:
1353943-87-9
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
IUPAC Name:
2-(2-hydroxyethylamino)-1-(1H-pyrrol-2-yl)ethanone
InChI:
InChI=1S/C8H12N2O2/c11-5-4-9-6-8(12)7-2-1-3-10-7/h1-3,9-11H,4-6H2
InChI Key:
HYLKDKRHMBLPMN-UHFFFAOYSA-N
SMILES:
OCCNCC(=O)c1ccc[nH]1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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