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72804-94-5

72804-94-5 | Quinoline, 2-methyl-8-(1-methylethyl)-

CAS No: 72804-94-5 Catalog No: AG005EM6 MDL No:

Product Description

Catalog Number:
AG005EM6
Chemical Name:
Quinoline, 2-methyl-8-(1-methylethyl)-
CAS Number:
72804-94-5
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
IUPAC Name:
2-methyl-8-propan-2-ylquinoline
InChI:
InChI=1S/C13H15N/c1-9(2)12-6-4-5-11-8-7-10(3)14-13(11)12/h4-9H,1-3H3
InChI Key:
SFUDEEQGHVKELS-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)c(ccc2)C(C)C

Properties

Complexity:
188  
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:
3.7  

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