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18441-61-7 | Quinoline,2,4,8-trimethyl-
CAS No: 18441-61-7 Catalog No: AG007SB5 MDL No:
Product Description
Catalog Number:
AG007SB5
Chemical Name:
Quinoline,2,4,8-trimethyl-
CAS Number:
18441-61-7
Molecular Formula:
C12H13N
Molecular Weight:
171.2383
IUPAC Name:
2,4,8-trimethylquinoline
InChI:
InChI=1S/C12H13N/c1-8-5-4-6-11-9(2)7-10(3)13-12(8)11/h4-7H,1-3H3
InChI Key:
UAPYNUQREMCVSV-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(n1)c(C)ccc2
EC Number:
242-322-6
UNII:
KEH3I9HX4R
Properties
Complexity:
178
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:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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