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80610-00-0 | Quinoline, 2-ethyl-3,7-dimethyl-
CAS No: 80610-00-0 Catalog No: AG0058Y4 MDL No:
Product Description
Catalog Number:
AG0058Y4
Chemical Name:
Quinoline, 2-ethyl-3,7-dimethyl-
CAS Number:
80610-00-0
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
IUPAC Name:
2-ethyl-3,7-dimethylquinoline
InChI:
InChI=1S/C13H15N/c1-4-12-10(3)8-11-6-5-9(2)7-13(11)14-12/h5-8H,4H2,1-3H3
InChI Key:
ZIBAOEUXTLFJDP-UHFFFAOYSA-N
SMILES:
CCc1nc2cc(C)ccc2cc1C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.27g/mol
Monoisotopic Mass:
185.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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