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123367-25-9 | 2-Propen-1-one, 3-(dimethylamino)-1-(2-pyridinyl)-, (2E)-
CAS No: 123367-25-9 Catalog No: AG000KGG MDL No:MFCD00115039
Product Description
Catalog Number:
AG000KGG
Chemical Name:
2-Propen-1-one, 3-(dimethylamino)-1-(2-pyridinyl)-, (2E)-
CAS Number:
123367-25-9
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD00115039
IUPAC Name:
(E)-3-(dimethylamino)-1-pyridin-2-ylprop-2-en-1-one
InChI:
InChI=1S/C10H12N2O/c1-12(2)8-6-10(13)9-5-3-4-7-11-9/h3-8H,1-2H3/b8-6+
InChI Key:
BWERGHWJEBQNQV-SOFGYWHQSA-N
SMILES:
CN(/C=C/C(=O)c1ccccn1)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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