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887591-40-4 | 3-(4-Morpholinophenyl)-3-oxopropanenitrile
CAS No: 887591-40-4 Catalog No: AG004D9W MDL No:MFCD07787044
Product Description
Catalog Number:
AG004D9W
Chemical Name:
3-(4-Morpholinophenyl)-3-oxopropanenitrile
CAS Number:
887591-40-4
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
MDL Number:
MFCD07787044
IUPAC Name:
3-(4-morpholin-4-ylphenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C13H14N2O2/c14-6-5-13(16)11-1-3-12(4-2-11)15-7-9-17-10-8-15/h1-4H,5,7-10H2
InChI Key:
AJYOOGLCCLWWSA-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccc(cc1)N1CCOCC1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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