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916572-56-0 | 3-(4,5-DIHYDRO-3H-PYRROL-2-YL)-QUINOLINE
CAS No: 916572-56-0 Catalog No: AG00GVCA MDL No:MFCD09749695
Product Description
Catalog Number:
AG00GVCA
Chemical Name:
3-(4,5-DIHYDRO-3H-PYRROL-2-YL)-QUINOLINE
CAS Number:
916572-56-0
Molecular Formula:
C13H12N2
Molecular Weight:
196.2478
MDL Number:
MFCD09749695
IUPAC Name:
3-(3,4-dihydro-2H-pyrrol-5-yl)quinoline
InChI:
InChI=1S/C13H12N2/c1-2-5-12-10(4-1)8-11(9-15-12)13-6-3-7-14-13/h1-2,4-5,8-9H,3,6-7H2
InChI Key:
JTSZXWQRKVSDGT-UHFFFAOYSA-N
SMILES:
C1CN=C(C1)c1cnc2c(c1)cccc2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.253g/mol
Monoisotopic Mass:
196.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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