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1333-53-5 | Quinoline, (1-methylethyl)-
CAS No: 1333-53-5 Catalog No: AG0014K7 MDL No:
Product Description
Catalog Number:
AG0014K7
Chemical Name:
Quinoline, (1-methylethyl)-
CAS Number:
1333-53-5
Molecular Formula:
C12H13N
Molecular Weight:
171.2383
IUPAC Name:
4-propan-2-ylquinoline
InChI:
InChI=1S/C12H13N/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12/h3-9H,1-2H3
InChI Key:
HFYWOOUKPVJGBA-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(n1)cccc2)C
EC Number:
215-595-4
UNII:
21LQY06C93
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.243g/mol
Monoisotopic Mass:
171.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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