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887591-49-3 | Benzenepropanenitrile,3-(dimethylamino)-b-oxo-
CAS No: 887591-49-3 Catalog No: AG004BC3 MDL No:MFCD07787048
Product Description
Catalog Number:
AG004BC3
Chemical Name:
Benzenepropanenitrile,3-(dimethylamino)-b-oxo-
CAS Number:
887591-49-3
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD07787048
IUPAC Name:
3-[3-(dimethylamino)phenyl]-3-oxopropanenitrile
InChI:
InChI=1S/C11H12N2O/c1-13(2)10-5-3-4-9(8-10)11(14)6-7-12/h3-5,8H,6H2,1-2H3
InChI Key:
YJUXSNSKJGQSBR-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1cccc(c1)N(C)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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