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855165-17-2 | 4-Quinolinecarbonitrile,2-propoxy-
CAS No: 855165-17-2 Catalog No: AG004MQZ MDL No:
Product Description
Catalog Number:
AG004MQZ
Chemical Name:
4-Quinolinecarbonitrile,2-propoxy-
CAS Number:
855165-17-2
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
IUPAC Name:
2-propoxyquinoline-4-carbonitrile
InChI:
InChI=1S/C13H12N2O/c1-2-7-16-13-8-10(9-14)11-5-3-4-6-12(11)15-13/h3-6,8H,2,7H2,1H3
InChI Key:
MCIICEGPSQAVNB-UHFFFAOYSA-N
SMILES:
CCCOc1nc2ccccc2c(c1)C#N
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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